1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate

C124H116Cl7N23O23S6 — CID 160735883

About 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate

1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate (PubChem CID 160735883) has the molecular formula C124H116Cl7N23O23S6 and a molecular weight of 2737.00 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate
• PubChem CID: 160735883
• Molecular Formula: C124H116Cl7N23O23S6
• Molecular Weight: 2737.00 g/mol
• Exact Mass: 2731.48
• IUPAC Name: 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate
• SMILES: CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)C2CC2)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
• InChI: InChI=1S/C26H24Cl2N4O4S.C26H24ClN5O5S.C25H22Cl2N4O4S.C24H21Cl2N5O5S2.C23H25N5O5S/c1-2-36-20-13-11-19(12-14-20)32-16-15-29-25(32)22(17-18-7-4-3-5-8-18)30-26(33)31-37(34,35)23-10-6-9-21(27)24(23)28;1-37-26(34)29-20-10-12-21(13-11-20)32-15-14-28-24(32)23(16-18-6-3-2-4-7-18)30-25(33)31-38(35,36)22-9-5-8-19(27)17-22;1-35-19-12-10-18(11-13-19)31-15-14-28-24(31)21(16-17-6-3-2-4-7-17)29-25(32)30-36(33,34)22-9-5-8-20(26)23(22)27;1-36-24(33)28-16-7-9-17(10-8-16)31-12-11-27-22(31)18(13-15-5-3-2-4-6-15)29-23(32)30-38(34,35)19-14-20(25)37-21(19)26;1-33-23(30)25-17-7-9-18(10-8-17)28-14-13-24-21(28)20(15-16-5-3-2-4-6-16)26-22(29)27-34(31,32)19-11-12-19/h3-16,22H,2,17H2,1H3,(H2,30,31,33);2-15,17,23H,16H2,1H3,(H,29,34)(H2,30,31,33);2-15,21H,16H2,1H3,(H2,29,30,32);2-12,14,18H,13H2,1H3,(H,28,33)(H2,29,30,32);2-10,13-14,19-20H,11-12,15H2,1H3,(H,25,30)(H2,26,27,29)/t22-;23-;21-;18-;20-/m00000/s1
• InChIKey: RUYBUGFXARMVJA-VIYZHKOJSA-N
• XLogP: 23.90
• TPSA: 598.90 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2737.00
LogP ≤ 5	23.90
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-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate (CID 160735883) is 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate.

What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate is CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)C2CC2)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.

What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

The InChIKey is RUYBUGFXARMVJA-VIYZHKOJSA-N. The full InChI is InChI=1S/C26H24Cl2N4O4S.C26H24ClN5O5S.C25H22Cl2N4O4S.C24H21Cl2N5O5S2.C23H25N5O5S/c1-2-36-20-13-11-19(12-14-20)32-16-15-29-25(32)22(17-18-7-4-3-5-8-18)30-26(33)31-37(34,35)23-10-6-9-21(27)24(23)28;1-37-26(34)29-20-10-12-21(13-11-20)32-15-14-28-24(32)23(16-18-6-3-2-4-7-18)30-25(33)31-38(35,36)22-9-5-8-19(27)17-22;1-35-19-12-10-18(11-13-19)31-15-14-28-24(31)21(16-17-6-3-2-4-7-17)29-25(32)30-36(33,34)22-9-5-8-20(26)23(22)27;1-36-24(33)28-16-7-9-17(10-8-16)31-12-11-27-22(31)18(13-15-5-3-2-4-6-15)29-23(32)30-38(34,35)19-14-20(25)37-21(19)26;1-33-23(30)25-17-7-9-18(10-8-17)28-14-13-24-21(28)20(15-16-5-3-2-4-6-16)26-22(29)27-34(31,32)19-11-12-19/h3-16,22H,2,17H2,1H3,(H2,30,31,33);2-15,17,23H,16H2,1H3,(H,29,34)(H2,30,31,33);2-15,21H,16H2,1H3,(H2,29,30,32);2-12,14,18H,13H2,1H3,(H,28,33)(H2,29,30,32);2-10,13-14,19-20H,11-12,15H2,1H3,(H,25,30)(H2,26,27,29)/t22-;23-;21-;18-;20-/m00000/s1.

What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate has a molecular weight of 2737.00 g/mol, XLogP of 23.90, 41 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-(cyclopropylsulfonylcarbamoylamino)-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate is sourced from PubChem (CID 160735883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).