3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C26H26N4O3S — CID 55461455

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C26H26N4O3S/c1-3-30(22-14-8-5-9-15-22)34(32,33)23-16-10-13-21(19-23)26(31)28-24(20-11-6-4-7-12-20)25-27-17-18-29(25)2/h4-19,24H,3H2,1-2H3,(H,28,31)
InChIKeyPTYVAHSITAATRZ-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.15
Rot. Bonds8

About 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 55461455) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID55461455
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C26H26N4O3S/c1-3-30(22-14-8-5-9-15-22)34(32,33)23-16-10-13-21(19-23)26(31)28-24(20-11-6-4-7-12-20)25-27-17-18-29(25)2/h4-19,24H,3H2,1-2H3,(H,28,31)
InChIKeyPTYVAHSITAATRZ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 37281759
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
CID 25390282
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 46512935
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 55461455) is 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is PTYVAHSITAATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-3-30(22-14-8-5-9-15-22)34(32,33)23-16-10-13-21(19-23)26(31)28-24(20-11-6-4-7-12-20)25-27-17-18-29(25)2/h4-19,24H,3H2,1-2H3,(H,28,31).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 55461455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).