2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

C26H25ClN4O3S — CID 43902073

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H25ClN4O3S/c1-19-16-22(27)10-13-25(19)31(35(33,34)24-6-4-3-5-7-24)18-26(32)29-17-21-8-11-23(12-9-21)30-15-14-28-20(30)2/h3-16H,17-18H2,1-2H3,(H,29,32)
InChIKeyZIPVPWFRJPTLCW-UHFFFAOYSA-N
MW509.03 g/mol
LogP4.65
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (PubChem CID 43902073) has the molecular formula C26H25ClN4O3S and a molecular weight of 509.03 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
PubChem CID43902073
Molecular FormulaC26H25ClN4O3S
Molecular Weight509.03 g/mol
Exact Mass508.13
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H25ClN4O3S/c1-19-16-22(27)10-13-25(19)31(35(33,34)24-6-4-3-5-7-24)18-26(32)29-17-21-8-11-23(12-9-21)30-15-14-28-20(30)2/h3-16H,17-18H2,1-2H3,(H,29,32)
InChIKeyZIPVPWFRJPTLCW-UHFFFAOYSA-N
XLogP4.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.03
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 30305069
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1103836
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 46772194
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 2873656
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 30206529
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43877067
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 21372651
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43876048
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679888
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (CID 43902073) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is ZIPVPWFRJPTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3S/c1-19-16-22(27)10-13-25(19)31(35(33,34)24-6-4-3-5-7-24)18-26(32)29-17-21-8-11-23(12-9-21)30-15-14-28-20(30)2/h3-16H,17-18H2,1-2H3,(H,29,32).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 509.03 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 43902073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).