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

C28H29ClN4O4S — CID 42826566

IUPAC2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(CC(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C28H29ClN4O4S/c1-20(2)17-32(38(35,36)25-15-11-22(29)12-16-25)19-27(34)31-28-30-26(21-9-13-24(37-3)14-10-21)18-33(28)23-7-5-4-6-8-23/h4-16,18,20H,17,19H2,1-3H3,(H,30,31,34)
InChIKeyKXDNBSWYDADUSS-UHFFFAOYSA-N
MW553.08 g/mol
LogP5.49
Rot. Bonds10

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

2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide (PubChem CID 42826566) has the molecular formula C28H29ClN4O4S and a molecular weight of 553.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
PubChem CID42826566
Molecular FormulaC28H29ClN4O4S
Molecular Weight553.08 g/mol
Exact Mass552.16
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(CC(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C28H29ClN4O4S/c1-20(2)17-32(38(35,36)25-15-11-22(29)12-16-25)19-27(34)31-28-30-26(21-9-13-24(37-3)14-10-21)18-33(28)23-7-5-4-6-8-23/h4-16,18,20H,17,19H2,1-3H3,(H,30,31,34)
InChIKeyKXDNBSWYDADUSS-UHFFFAOYSA-N
XLogP5.49
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.08
LogP ≤ 55.49
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-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
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
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42828555
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145799
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 46146411
N-(1,4-diphenylimidazol-2-yl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 42826895
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide (CID 42826566) is 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccccc3)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-phenylimidazol-2-yl]acetamide?
The InChIKey is KXDNBSWYDADUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O4S/c1-20(2)17-32(38(35,36)25-15-11-22(29)12-16-25)19-27(34)31-28-30-26(21-9-13-24(37-3)14-10-21)18-33(28)23-7-5-4-6-8-23/h4-16,18,20H,17,19H2,1-3H3,(H,30,31,34).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide has a molecular weight of 553.08 g/mol, XLogP of 5.49, 10 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-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 42826566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).