1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

C159H158ClN27O26S6 — CID 161006999

About 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 161006999) has the molecular formula C159H158ClN27O26S6 and a molecular weight of 3091.03 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
• PubChem CID: 161006999
• Molecular Formula: C159H158ClN27O26S6
• Molecular Weight: 3091.03 g/mol
• Exact Mass: 3087.99
• IUPAC Name: 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
• SMILES: COC(=O)Nc1ccc(-n2ccnc2[C@@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2)cc1.COc1ccc(Cn2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.COc1ccc(Cn2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2Cl)cc1.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1
• InChI: InChI=1S/2C27H27N5O5S.C27H28N4O4S.C26H25ClN4O4S.C26H25N5O5S.C26H26N4O3S/c1-19-8-6-7-11-24(19)38(35,36)31-26(33)30-23(18-20-9-4-3-5-10-20)25-28-16-17-32(25)22-14-12-21(13-15-22)29-27(34)37-2;1-19-8-14-23(15-9-19)38(35,36)31-26(33)30-24(18-20-6-4-3-5-7-20)25-28-16-17-32(25)22-12-10-21(11-13-22)29-27(34)37-2;1-20-8-6-7-11-25(20)36(33,34)30-27(32)29-24(18-21-9-4-3-5-10-21)26-28-16-17-31(26)19-22-12-14-23(35-2)15-13-22;1-35-21-13-11-20(12-14-21)18-31-16-15-28-25(31)23(17-19-7-3-2-4-8-19)29-26(32)30-36(33,34)24-10-6-5-9-22(24)27;1-36-26(33)28-20-12-14-21(15-13-20)31-17-16-27-24(31)23(18-19-8-4-2-5-9-19)29-25(32)30-37(34,35)22-10-6-3-7-11-22;1-19-12-14-22(15-13-19)30-17-16-27-25(30)23(18-21-9-4-3-5-10-21)28-26(31)29-34(32,33)24-11-7-6-8-20(24)2/h3-17,23H,18H2,1-2H3,(H,29,34)(H2,30,31,33);3-17,24H,18H2,1-2H3,(H,29,34)(H2,30,31,33);3-17,24H,18-19H2,1-2H3,(H2,29,30,32);2-16,23H,17-18H2,1H3,(H2,29,30,32);2-17,23H,18H2,1H3,(H,28,33)(H2,29,30,32);3-17,23H,18H2,1-2H3,(H2,28,29,31)/t23-;2*24-;3*23-/m100000/s1
• InChIKey: TWQAVOYVBOCVOH-OOXZNPDLSA-N
• XLogP: 25.93
• TPSA: 691.99 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 49
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3091.03
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?

The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (CID 161006999) is 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.

What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?

The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is COC(=O)Nc1ccc(-n2ccnc2[C@@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2)cc1.COc1ccc(Cn2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.COc1ccc(Cn2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2Cl)cc1.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.

What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?

The InChIKey is TWQAVOYVBOCVOH-OOXZNPDLSA-N. The full InChI is InChI=1S/2C27H27N5O5S.C27H28N4O4S.C26H25ClN4O4S.C26H25N5O5S.C26H26N4O3S/c1-19-8-6-7-11-24(19)38(35,36)31-26(33)30-23(18-20-9-4-3-5-10-20)25-28-16-17-32(25)22-14-12-21(13-15-22)29-27(34)37-2;1-19-8-14-23(15-9-19)38(35,36)31-26(33)30-24(18-20-6-4-3-5-7-20)25-28-16-17-32(25)22-12-10-21(11-13-22)29-27(34)37-2;1-20-8-6-7-11-25(20)36(33,34)30-27(32)29-24(18-21-9-4-3-5-10-21)26-28-16-17-31(26)19-22-12-14-23(35-2)15-13-22;1-35-21-13-11-20(12-14-21)18-31-16-15-28-25(31)23(17-19-7-3-2-4-8-19)29-26(32)30-36(33,34)24-10-6-5-9-22(24)27;1-36-26(33)28-20-12-14-21(15-13-20)31-17-16-27-24(31)23(18-19-8-4-2-5-9-19)29-25(32)30-37(34,35)22-10-6-3-7-11-22;1-19-12-14-22(15-13-19)30-17-16-27-25(30)23(18-21-9-4-3-5-10-21)28-26(31)29-34(32,33)24-11-7-6-8-20(24)2/h3-17,23H,18H2,1-2H3,(H,29,34)(H2,30,31,33);3-17,24H,18H2,1-2H3,(H,29,34)(H2,30,31,33);3-17,24H,18-19H2,1-2H3,(H2,29,30,32);2-16,23H,17-18H2,1H3,(H2,29,30,32);2-17,23H,18H2,1H3,(H,28,33)(H2,29,30,32);3-17,23H,18H2,1-2H3,(H2,28,29,31)/t23-;2*24-;3*23-/m100000/s1.

What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?

1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea has a molecular weight of 3091.03 g/mol, XLogP of 25.93, 49 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-1-(benzenesulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1R)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 161006999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).