1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate

C161H146F2N26O22S9 — CID 158173536

IUPAC1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2sccc2c1.Cc1nc2cc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3C)ccc2s1.Cc1nc2cc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3F)ccc2s1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C28H28N4O5S.C27H25N5O3S2.C27H24N4O4S.C27H24N4O3S2.C26H22FN5O3S2.C26H23FN4O4S/c1-20-9-6-7-14-25(20)38(35,36)31-28(34)30-24(18-21-10-4-3-5-11-21)27-29-15-16-32(27)23-13-8-12-22(17-23)19-26(33)37-2;1-18-8-6-7-11-25(18)37(34,35)31-27(33)30-23(16-20-9-4-3-5-10-20)26-28-14-15-32(26)21-12-13-24-22(17-21)29-19(2)36-24;2*1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;1-17-29-21-16-19(11-12-23(21)36-17)32-14-13-28-25(32)22(15-18-7-3-2-4-8-18)30-26(33)31-37(34,35)24-10-6-5-9-20(24)27;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h3-17,24H,18-19H2,1-2H3,(H2,30,31,34);3-15,17,23H,16H2,1-2H3,(H2,30,31,33);2*2-16,18,23H,17H2,1H3,(H2,29,30,32);2-14,16,22H,15H2,1H3,(H2,30,31,33);1-11,13-14,17,22H,12,15-16H2,(H2,29,30,32)/t24-;3*23-;2*22-/m000000/s1
InChIKeyFXSWEQKXOAISBX-FUPLGTNASA-N
MW3123.70 g/mol
LogP28.02
Rot. Bonds44

About 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate

1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate (PubChem CID 158173536) has the molecular formula C161H146F2N26O22S9 and a molecular weight of 3123.70 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate.

Molecular Properties

Compound Name1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate
PubChem CID158173536
Molecular FormulaC161H146F2N26O22S9
Molecular Weight3123.70 g/mol
Exact Mass3120.86
IUPAC Name1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2sccc2c1.Cc1nc2cc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3C)ccc2s1.Cc1nc2cc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3F)ccc2s1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C28H28N4O5S.C27H25N5O3S2.C27H24N4O4S.C27H24N4O3S2.C26H22FN5O3S2.C26H23FN4O4S/c1-20-9-6-7-14-25(20)38(35,36)31-28(34)30-24(18-21-10-4-3-5-11-21)27-29-15-16-32(27)23-13-8-12-22(17-23)19-26(33)37-2;1-18-8-6-7-11-25(18)37(34,35)31-27(33)30-23(16-20-9-4-3-5-10-20)26-28-14-15-32(26)21-12-13-24-22(17-21)29-19(2)36-24;2*1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;1-17-29-21-16-19(11-12-23(21)36-17)32-14-13-28-25(32)22(15-18-7-3-2-4-8-18)30-26(33)31-37(34,35)24-10-6-5-9-20(24)27;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h3-17,24H,18-19H2,1-2H3,(H2,30,31,34);3-15,17,23H,16H2,1-2H3,(H2,30,31,33);2*2-16,18,23H,17H2,1H3,(H2,29,30,32);2-14,16,22H,15H2,1H3,(H2,30,31,33);1-11,13-14,17,22H,12,15-16H2,(H2,29,30,32)/t24-;3*23-;2*22-/m000000/s1
InChIKeyFXSWEQKXOAISBX-FUPLGTNASA-N
XLogP28.02
TPSA632.99 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds44
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003123.70
LogP ≤ 528.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Analyze 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate with MolForge

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Related Compounds

1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-thiophen-3-ylphenyl)imidazol-2-yl]ethyl]urea
CID 157452875
bis(1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-(2-methylquinolin-6-yl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-(1-naphthalen-2-ylimidazol-2-yl)-2-phenylethyl]urea
CID 157700167
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-2-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[bis[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-4-(dibenzylamino)-N,N-bis(2-methylpropyl)butanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide
CID 157784885
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
CID 159112645
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrazol-4-yl)imidazol-2-yl]ethyl]urea
CID 159481876
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
CID 160487734
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
CID 160720991

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate?
The IUPAC name of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate (CID 158173536) is 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate.
What is the SMILES notation for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate?
The canonical SMILES for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate is COC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2sccc2c1.Cc1nc2cc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3C)ccc2s1.Cc1nc2cc(-n3ccnc3[C@H](Cc3ccccc3)NC(=O)NS(=O)(=O)c3ccccc3F)ccc2s1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate?
The InChIKey is FXSWEQKXOAISBX-FUPLGTNASA-N. The full InChI is InChI=1S/C28H28N4O5S.C27H25N5O3S2.C27H24N4O4S.C27H24N4O3S2.C26H22FN5O3S2.C26H23FN4O4S/c1-20-9-6-7-14-25(20)38(35,36)31-28(34)30-24(18-21-10-4-3-5-11-21)27-29-15-16-32(27)23-13-8-12-22(17-23)19-26(33)37-2;1-18-8-6-7-11-25(18)37(34,35)31-27(33)30-23(16-20-9-4-3-5-10-20)26-28-14-15-32(26)21-12-13-24-22(17-21)29-19(2)36-24;2*1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;1-17-29-21-16-19(11-12-23(21)36-17)32-14-13-28-25(32)22(15-18-7-3-2-4-8-18)30-26(33)31-37(34,35)24-10-6-5-9-20(24)27;27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h3-17,24H,18-19H2,1-2H3,(H2,30,31,34);3-15,17,23H,16H2,1-2H3,(H2,30,31,33);2*2-16,18,23H,17H2,1H3,(H2,29,30,32);2-14,16,22H,15H2,1H3,(H2,30,31,33);1-11,13-14,17,22H,12,15-16H2,(H2,29,30,32)/t24-;3*23-;2*22-/m000000/s1.
What are the key properties of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate?
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate has a molecular weight of 3123.70 g/mol, XLogP of 28.02, 44 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate is sourced from PubChem (CID 158173536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).