2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C26H25ClN4O4S — CID 30307161

IUPAC2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H25ClN4O4S/c1-19-7-10-22(11-8-19)36(33,34)31(24-15-21(27)9-12-25(24)35-2)17-26(32)29-16-20-5-3-4-6-23(20)30-14-13-28-18-30/h3-15,18H,16-17H2,1-2H3,(H,29,32)
InChIKeyBKWQYSBXPQVCAV-UHFFFAOYSA-N
MW525.03 g/mol
LogP4.35
Rot. Bonds9

About 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 30307161) has the molecular formula C26H25ClN4O4S and a molecular weight of 525.03 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID30307161
Molecular FormulaC26H25ClN4O4S
Molecular Weight525.03 g/mol
Exact Mass524.13
IUPAC Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H25ClN4O4S/c1-19-7-10-22(11-8-19)36(33,34)31(24-15-21(27)9-12-25(24)35-2)17-26(32)29-16-20-5-3-4-6-23(20)30-14-13-28-18-30/h3-15,18H,16-17H2,1-2H3,(H,29,32)
InChIKeyBKWQYSBXPQVCAV-UHFFFAOYSA-N
XLogP4.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92679723
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92673863
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28580232
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30303585
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46778185
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43886437
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30306242
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126260091
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46773015
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30307008
N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1338540
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 30307161) is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is BKWQYSBXPQVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4S/c1-19-7-10-22(11-8-19)36(33,34)31(24-15-21(27)9-12-25(24)35-2)17-26(32)29-16-20-5-3-4-6-23(20)30-14-13-28-18-30/h3-15,18H,16-17H2,1-2H3,(H,29,32).
What are the key properties of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 525.03 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 30307161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).