2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide

C30H32N4O4S — CID 46146559

IUPAC2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(NC(=O)CN(C3CC3)S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C30H32N4O4S/c1-20-5-15-27(16-6-20)39(36,37)34(24-11-12-24)19-29(35)32-30-31-28(23-8-13-26(38-4)14-9-23)18-33(30)25-10-7-21(2)22(3)17-25/h5-10,13-18,24H,11-12,19H2,1-4H3,(H,31,32,35)
InChIKeyZQGBECVMDLJOSI-UHFFFAOYSA-N
MW544.68 g/mol
LogP5.26
Rot. Bonds9

About 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide

2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide (PubChem CID 46146559) has the molecular formula C30H32N4O4S and a molecular weight of 544.68 g/mol. Its IUPAC name is 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
PubChem CID46146559
Molecular FormulaC30H32N4O4S
Molecular Weight544.68 g/mol
Exact Mass544.21
IUPAC Name2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(NC(=O)CN(C3CC3)S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C30H32N4O4S/c1-20-5-15-27(16-6-20)39(36,37)34(24-11-12-24)19-29(35)32-30-31-28(23-8-13-26(38-4)14-9-23)18-33(30)25-10-7-21(2)22(3)17-25/h5-10,13-18,24H,11-12,19H2,1-4H3,(H,31,32,35)
InChIKeyZQGBECVMDLJOSI-UHFFFAOYSA-N
XLogP5.26
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.68
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 46145795
N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
CID 46145226
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
4-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405658
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98405667
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830547
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide
CID 42828561
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46146480
2-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405670
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46146495

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide (CID 46146559) is 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(NC(=O)CN(C3CC3)S(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The InChIKey is ZQGBECVMDLJOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4S/c1-20-5-15-27(16-6-20)39(36,37)34(24-11-12-24)19-29(35)32-30-31-28(23-8-13-26(38-4)14-9-23)18-33(30)25-10-7-21(2)22(3)17-25/h5-10,13-18,24H,11-12,19H2,1-4H3,(H,31,32,35).
What are the key properties of 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide has a molecular weight of 544.68 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 46146559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).