N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide

C29H29ClN4O3S — CID 46145612

IUPACN-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC3CC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C29H29ClN4O3S/c1-20-3-9-23(10-4-20)27-18-34(25-13-5-21(2)6-14-25)29(31-27)32-28(35)19-33(17-22-7-8-22)38(36,37)26-15-11-24(30)12-16-26/h3-6,9-16,18,22H,7-8,17,19H2,1-2H3,(H,31,32,35)
InChIKeyBRYRYPHDEUGVGC-UHFFFAOYSA-N
MW549.10 g/mol
LogP5.85
Rot. Bonds9

About N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide

N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide (PubChem CID 46145612) has the molecular formula C29H29ClN4O3S and a molecular weight of 549.10 g/mol. Its IUPAC name is N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
PubChem CID46145612
Molecular FormulaC29H29ClN4O3S
Molecular Weight549.10 g/mol
Exact Mass548.16
IUPAC NameN-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC3CC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C29H29ClN4O3S/c1-20-3-9-23(10-4-20)27-18-34(25-13-5-21(2)6-14-25)29(31-27)32-28(35)19-33(17-22-7-8-22)38(36,37)26-15-11-24(30)12-16-26/h3-6,9-16,18,22H,7-8,17,19H2,1-2H3,(H,31,32,35)
InChIKeyBRYRYPHDEUGVGC-UHFFFAOYSA-N
XLogP5.85
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.10
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
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
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42828159
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458
N-(1,4-diphenylimidazol-2-yl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 42826895
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylcyclopropanecarboxamide
CID 42828267
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

Frequently Asked Questions

What is the IUPAC name of N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide?
The IUPAC name of N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide (CID 46145612) is N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide.
What is the SMILES notation for N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide?
The canonical SMILES for N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide is Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC3CC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide?
The InChIKey is BRYRYPHDEUGVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3S/c1-20-3-9-23(10-4-20)27-18-34(25-13-5-21(2)6-14-25)29(31-27)32-28(35)19-33(17-22-7-8-22)38(36,37)26-15-11-24(30)12-16-26/h3-6,9-16,18,22H,7-8,17,19H2,1-2H3,(H,31,32,35).
What are the key properties of N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide?
N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide has a molecular weight of 549.10 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide is sourced from PubChem (CID 46145612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).