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

C131H124ClF4N23O24S5 — CID 162170099

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

1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate (PubChem CID 162170099) has the molecular formula C131H124ClF4N23O24S5 and a molecular weight of 2676.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate
• PubChem CID: 162170099
• Molecular Formula: C131H124ClF4N23O24S5
• Molecular Weight: 2676.35 g/mol
• Exact Mass: 2673.74
• IUPAC Name: 1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate
• SMILES: COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2OC)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1
• InChI: InChI=1S/C27H24F3N5O6S.C27H27N5O6S.C26H24ClN5O5S.C26H26N4O3S.C25H23FN4O4S/c1-40-26(37)32-19-11-13-20(14-12-19)35-16-15-31-24(35)21(17-18-7-3-2-4-8-18)33-25(36)34-42(38,39)23-10-6-5-9-22(23)41-27(28,29)30;1-37-23-10-6-7-11-24(23)39(35,36)31-26(33)30-22(18-19-8-4-3-5-9-19)25-28-16-17-32(25)21-14-12-20(13-15-21)29-27(34)38-2;1-37-26(34)29-19-11-13-20(14-12-19)32-16-15-28-24(32)22(17-18-7-3-2-4-8-18)30-25(33)31-38(35,36)23-10-6-5-9-21(23)27;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;1-34-20-13-11-19(12-14-20)30-16-15-27-24(30)22(17-18-7-3-2-4-8-18)28-25(31)29-35(32,33)23-10-6-5-9-21(23)26/h2-16,21H,17H2,1H3,(H,32,37)(H2,33,34,36);3-17,22H,18H2,1-2H3,(H,29,34)(H2,30,31,33);2-16,22H,17H2,1H3,(H,29,34)(H2,30,31,33);3-17,23H,18H2,1-2H3,(H2,28,29,31);2-16,22H,17H2,1H3,(H2,28,29,31)/t21-;2*22-;23-;22-/m00000/s1
• InChIKey: ZNRDPWNZPUQFBY-UOWUNFGUSA-N
• XLogP: 22.08
• TPSA: 608.13 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2676.35
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate (CID 162170099) is 1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate.

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

The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate is COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2OC)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.

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

The InChIKey is ZNRDPWNZPUQFBY-UOWUNFGUSA-N. The full InChI is InChI=1S/C27H24F3N5O6S.C27H27N5O6S.C26H24ClN5O5S.C26H26N4O3S.C25H23FN4O4S/c1-40-26(37)32-19-11-13-20(14-12-19)35-16-15-31-24(35)21(17-18-7-3-2-4-8-18)33-25(36)34-42(38,39)23-10-6-5-9-22(23)41-27(28,29)30;1-37-23-10-6-7-11-24(23)39(35,36)31-26(33)30-22(18-19-8-4-3-5-9-19)25-28-16-17-32(25)21-14-12-20(13-15-21)29-27(34)38-2;1-37-26(34)29-19-11-13-20(14-12-19)32-16-15-28-24(32)22(17-18-7-3-2-4-8-18)30-25(33)31-38(35,36)23-10-6-5-9-21(23)27;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;1-34-20-13-11-19(12-14-20)30-16-15-27-24(30)22(17-18-7-3-2-4-8-18)28-25(31)29-35(32,33)23-10-6-5-9-21(23)26/h2-16,21H,17H2,1H3,(H,32,37)(H2,33,34,36);3-17,22H,18H2,1-2H3,(H,29,34)(H2,30,31,33);2-16,22H,17H2,1H3,(H,29,34)(H2,30,31,33);3-17,23H,18H2,1-2H3,(H2,28,29,31);2-16,22H,17H2,1H3,(H2,28,29,31)/t21-;2*22-;23-;22-/m00000/s1.

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

1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate has a molecular weight of 2676.35 g/mol, XLogP of 22.08, 41 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2-methoxyphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl N-[4-[2-[(1S)-2-phenyl-1-[[2-(trifluoromethoxy)phenyl]sulfonylcarbamoylamino]ethyl]imidazol-1-yl]phenyl]carbamate is sourced from PubChem (CID 162170099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).