2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

C25H24N4O3S — CID 92679888

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-19-26-16-17-29(19)21-14-12-20(13-15-21)18-27-25(30)23-10-6-7-11-24(23)28(2)33(31,32)22-8-4-3-5-9-22/h3-17H,18H2,1-2H3,(H,27,30)
InChIKeyOQLLXRGTDDFPFN-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.94
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (PubChem CID 92679888) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
PubChem CID92679888
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-19-26-16-17-29(19)21-14-12-20(13-15-21)18-27-25(30)23-10-6-7-11-24(23)28(2)33(31,32)22-8-4-3-5-9-22/h3-17H,18H2,1-2H3,(H,27,30)
InChIKeyOQLLXRGTDDFPFN-UHFFFAOYSA-N
XLogP3.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 126346032
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
2-benzylsulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908476
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 92673554
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43902073
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682909
4-[benzyl(methylsulfonyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908963
2-chloro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92679670
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 99939946
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (CID 92679888) is 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is Cc1nccn1-c1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is OQLLXRGTDDFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-19-26-16-17-29(19)21-14-12-20(13-15-21)18-27-25(30)23-10-6-7-11-24(23)28(2)33(31,32)22-8-4-3-5-9-22/h3-17H,18H2,1-2H3,(H,27,30).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 92679888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).