N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide

C111H111N11O11S6 — CID 159373921

IUPACN-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
SMILESCCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1.CCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)c2ccccc2)cc1.CCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(Cc3ccccc3)sc2S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C41H42N4O4S2.C36H33N3O3S2.C34H36N4O4S2/c1-4-37-42-39-29(3)23-28(2)24-36(39)45(37)26-30-15-17-31(18-16-30)35-25-34(27-44-19-21-49-22-20-44)50-41(35)51(47,48)43-40(46)38(32-11-7-5-8-12-32)33-13-9-6-10-14-33;1-4-33-37-34-25(3)19-24(2)20-32(34)39(33)23-27-15-17-28(18-16-27)31-22-30(21-26-11-7-5-8-12-26)43-36(31)44(41,42)38-35(40)29-13-9-6-10-14-29;1-4-31-35-32-24(3)18-23(2)19-30(32)38(31)21-25-10-12-26(13-11-25)29-20-28(22-37-14-16-42-17-15-37)43-34(29)44(40,41)36-33(39)27-8-6-5-7-9-27/h5-18,23-25,38H,4,19-22,26-27H2,1-3H3,(H,43,46);5-20,22H,4,21,23H2,1-3H3,(H,38,40);5-13,18-20H,4,14-17,21-22H2,1-3H3,(H,36,39)
InChIKeyLKBPJWKFOOVVGG-UHFFFAOYSA-N
MW1967.58 g/mol
LogP21.11
Rot. Bonds29

About N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide

N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide (PubChem CID 159373921) has the molecular formula C111H111N11O11S6 and a molecular weight of 1967.58 g/mol. Its IUPAC name is N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
PubChem CID159373921
Molecular FormulaC111H111N11O11S6
Molecular Weight1967.58 g/mol
Exact Mass1965.68
IUPAC NameN-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
SMILESCCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1.CCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)c2ccccc2)cc1.CCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(Cc3ccccc3)sc2S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C41H42N4O4S2.C36H33N3O3S2.C34H36N4O4S2/c1-4-37-42-39-29(3)23-28(2)24-36(39)45(37)26-30-15-17-31(18-16-30)35-25-34(27-44-19-21-49-22-20-44)50-41(35)51(47,48)43-40(46)38(32-11-7-5-8-12-32)33-13-9-6-10-14-33;1-4-33-37-34-25(3)19-24(2)20-32(34)39(33)23-27-15-17-28(18-16-27)31-22-30(21-26-11-7-5-8-12-26)43-36(31)44(41,42)38-35(40)29-13-9-6-10-14-29;1-4-31-35-32-24(3)18-23(2)19-30(32)38(31)21-25-10-12-26(13-11-25)29-20-28(22-37-14-16-42-17-15-37)43-34(29)44(40,41)36-33(39)27-8-6-5-7-9-27/h5-18,23-25,38H,4,19-22,26-27H2,1-3H3,(H,43,46);5-20,22H,4,21,23H2,1-3H3,(H,38,40);5-13,18-20H,4,14-17,21-22H2,1-3H3,(H,36,39)
InChIKeyLKBPJWKFOOVVGG-UHFFFAOYSA-N
XLogP21.11
TPSA268.12 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001967.58
LogP ≤ 521.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide with MolForge

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Related Compounds

N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
CID 167346350
N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
CID 145432438
N-[[5-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-2-morpholin-4-yl-2H-thiopyran-6-yl]sulfonyl]-2,2-diphenylacetamide
CID 138744357
N-[2-[4-[[4-methyl-6-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propylbenzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide
CID 54070636
6-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-7-oxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxylic acid
CID 19769518
2-[4-[[6-[(N,N-dimethyl-N'-methylsulfonylcarbamimidoyl)amino]-2-ethyl-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 54171740
3-[[4-[2-[(2-aminoacetyl)sulfamoyl]phenyl]phenyl]methyl]-7-methyl-2-propylbenzimidazole-5-carboxylic acid
CID 68723845
2-[4-[[4-methyl-6-[(2-methyl-3-oxo-3-phenylpropyl)carbamoyl]-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 57018987
1-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-oxoindene-2-carboxylic acid
CID 11975311
2-[4-[(6-carbonochloridoyl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19964443
2-[3-chloro-4-[[2-ethyl-4-methyl-6-(pentylsulfonylcarbamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 25004772
2-[4-[[4-methyl-2-propyl-6-[[2-(sulfanylmethyl)pentanoylamino]methyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 25165465

Frequently Asked Questions

What is the IUPAC name of N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?
The IUPAC name of N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide (CID 159373921) is N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?
The canonical SMILES for N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide is CCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1.CCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)c2ccccc2)cc1.CCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2cc(Cc3ccccc3)sc2S(=O)(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?
The InChIKey is LKBPJWKFOOVVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N4O4S2.C36H33N3O3S2.C34H36N4O4S2/c1-4-37-42-39-29(3)23-28(2)24-36(39)45(37)26-30-15-17-31(18-16-30)35-25-34(27-44-19-21-49-22-20-44)50-41(35)51(47,48)43-40(46)38(32-11-7-5-8-12-32)33-13-9-6-10-14-33;1-4-33-37-34-25(3)19-24(2)20-32(34)39(33)23-27-15-17-28(18-16-27)31-22-30(21-26-11-7-5-8-12-26)43-36(31)44(41,42)38-35(40)29-13-9-6-10-14-29;1-4-31-35-32-24(3)18-23(2)19-30(32)38(31)21-25-10-12-26(13-11-25)29-20-28(22-37-14-16-42-17-15-37)43-34(29)44(40,41)36-33(39)27-8-6-5-7-9-27/h5-18,23-25,38H,4,19-22,26-27H2,1-3H3,(H,43,46);5-20,22H,4,21,23H2,1-3H3,(H,38,40);5-13,18-20H,4,14-17,21-22H2,1-3H3,(H,36,39).
What are the key properties of N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?
N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide has a molecular weight of 1967.58 g/mol, XLogP of 21.11, 29 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-benzyl-3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonylbenzamide;N-[3-[4-[(2-ethyl-4,6-dimethylbenzimidazol-1-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide is sourced from PubChem (CID 159373921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).