4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide

C26H26N4O3S — CID 92675796

IUPAC4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2-n2ccnc2C)ccc1C
InChIInChI=1S/C26H26N4O3S/c1-18-8-4-6-10-23(18)29-34(32,33)25-16-21(13-12-19(25)2)26(31)28-17-22-9-5-7-11-24(22)30-15-14-27-20(30)3/h4-16,29H,17H2,1-3H3,(H,28,31)
InChIKeyABFBPRKWJUKJHZ-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.53
Rot. Bonds7

About 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide

4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 92675796) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID92675796
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2-n2ccnc2C)ccc1C
InChIInChI=1S/C26H26N4O3S/c1-18-8-4-6-10-23(18)29-34(32,33)25-16-21(13-12-19(25)2)26(31)28-17-22-9-5-7-11-24(22)30-15-14-27-20(30)3/h4-16,29H,17H2,1-3H3,(H,28,31)
InChIKeyABFBPRKWJUKJHZ-UHFFFAOYSA-N
XLogP4.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-ylsulfonyl)-4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 38008845
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3559507
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
CID 92675351
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 92675796) is 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2-n2ccnc2C)ccc1C.
What is the InChIKey of 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is ABFBPRKWJUKJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-18-8-4-6-10-23(18)29-34(32,33)25-16-21(13-12-19(25)2)26(31)28-17-22-9-5-7-11-24(22)30-15-14-27-20(30)3/h4-16,29H,17H2,1-3H3,(H,28,31).
What are the key properties of 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 92675796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).