2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C26H26N4O3S — CID 46778185

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C26H26N4O3S/c1-20-9-8-14-24(21(20)2)30(34(32,33)23-11-4-3-5-12-23)18-26(31)28-17-22-10-6-7-13-25(22)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31)
InChIKeyDKBANYYDAOZYPV-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.00
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 46778185) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID46778185
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C26H26N4O3S/c1-20-9-8-14-24(21(20)2)30(34(32,33)23-11-4-3-5-12-23)18-26(31)28-17-22-10-6-7-13-25(22)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31)
InChIKeyDKBANYYDAOZYPV-UHFFFAOYSA-N
XLogP4.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30303585
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92673863
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92685437
N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92679723
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30307161
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1160770
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43877067
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30306242
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46773015
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 30305069
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 46778185) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is Cc1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is DKBANYYDAOZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-20-9-8-14-24(21(20)2)30(34(32,33)23-11-4-3-5-12-23)18-26(31)28-17-22-10-6-7-13-25(22)29-16-15-27-19-29/h3-16,19H,17-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 474.59 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 46778185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).