2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

C31H35ClN4O4S — CID 46145792

IUPAC2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C(C)C)cc3)c(NC(=O)CN(CC(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C31H35ClN4O4S/c1-21(2)18-35(41(38,39)28-16-10-25(32)11-17-28)20-30(37)34-31-33-29(24-8-14-27(40-5)15-9-24)19-36(31)26-12-6-23(7-13-26)22(3)4/h6-17,19,21-22H,18,20H2,1-5H3,(H,33,34,37)
InChIKeyZVCGPWPONVPBJY-UHFFFAOYSA-N
MW595.17 g/mol
LogP6.61
Rot. Bonds11

About 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (PubChem CID 46145792) has the molecular formula C31H35ClN4O4S and a molecular weight of 595.17 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
PubChem CID46145792
Molecular FormulaC31H35ClN4O4S
Molecular Weight595.17 g/mol
Exact Mass594.21
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C(C)C)cc3)c(NC(=O)CN(CC(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C31H35ClN4O4S/c1-21(2)18-35(41(38,39)28-16-10-25(32)11-17-28)20-30(37)34-31-33-29(24-8-14-27(40-5)15-9-24)19-36(31)26-12-6-23(7-13-26)22(3)4/h6-17,19,21-22H,18,20H2,1-5H3,(H,33,34,37)
InChIKeyZVCGPWPONVPBJY-UHFFFAOYSA-N
XLogP6.61
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.17
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145799
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42828555
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 46145795
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 42827391
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 46146411
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
CID 46145612

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (CID 46145792) is 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccc(C(C)C)cc3)c(NC(=O)CN(CC(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The InChIKey is ZVCGPWPONVPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN4O4S/c1-21(2)18-35(41(38,39)28-16-10-25(32)11-17-28)20-30(37)34-31-33-29(24-8-14-27(40-5)15-9-24)19-36(31)26-12-6-23(7-13-26)22(3)4/h6-17,19,21-22H,18,20H2,1-5H3,(H,33,34,37).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide has a molecular weight of 595.17 g/mol, XLogP of 6.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 46145792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).