2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide

C30H31ClN4O6S — CID 42830591

IUPAC2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(CC3CC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C30H31ClN4O6S/c1-39-24-11-6-21(7-12-24)26-18-35(23-10-15-27(40-2)28(16-23)41-3)30(32-26)33-29(36)19-34(17-20-4-5-20)42(37,38)25-13-8-22(31)9-14-25/h6-16,18,20H,4-5,17,19H2,1-3H3,(H,32,33,36)
InChIKeyKEKHHYVLDXBROX-UHFFFAOYSA-N
MW611.12 g/mol
LogP5.26
Rot. Bonds12

About 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide

2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide (PubChem CID 42830591) has the molecular formula C30H31ClN4O6S and a molecular weight of 611.12 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
PubChem CID42830591
Molecular FormulaC30H31ClN4O6S
Molecular Weight611.12 g/mol
Exact Mass610.17
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(CC3CC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C30H31ClN4O6S/c1-39-24-11-6-21(7-12-24)26-18-35(23-10-15-27(40-2)28(16-23)41-3)30(32-26)33-29(36)19-34(17-20-4-5-20)42(37,38)25-13-8-22(31)9-14-25/h6-16,18,20H,4-5,17,19H2,1-3H3,(H,32,33,36)
InChIKeyKEKHHYVLDXBROX-UHFFFAOYSA-N
XLogP5.26
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.12
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
CID 46145612
N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide
CID 42828513
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830543
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42830515
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42828159

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide (CID 42830591) is 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(CC3CC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The InChIKey is KEKHHYVLDXBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O6S/c1-39-24-11-6-21(7-12-24)26-18-35(23-10-15-27(40-2)28(16-23)41-3)30(32-26)33-29(36)19-34(17-20-4-5-20)42(37,38)25-13-8-22(31)9-14-25/h6-16,18,20H,4-5,17,19H2,1-3H3,(H,32,33,36).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide has a molecular weight of 611.12 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 42830591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).