N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C21H26N2O3S — CID 46516145

IUPACN-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15(2)23(3)27(25,26)19-13-11-18(12-14-19)21(24)22-20(17-9-10-17)16-7-5-4-6-8-16/h4-8,11-15,17,20H,9-10H2,1-3H3,(H,22,24)
InChIKeyADUFDPPKIUXLMS-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.60
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 46516145) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID46516145
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15(2)23(3)27(25,26)19-13-11-18(12-14-19)21(24)22-20(17-9-10-17)16-7-5-4-6-8-16/h4-8,11-15,17,20H,9-10H2,1-3H3,(H,22,24)
InChIKeyADUFDPPKIUXLMS-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]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-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55690038
N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46513510
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368
N-[cyclopropyl-(4-methylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51296386
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303
N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 8855715
N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
3-methyl-2-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119170436
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 46516145) is N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is ADUFDPPKIUXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15(2)23(3)27(25,26)19-13-11-18(12-14-19)21(24)22-20(17-9-10-17)16-7-5-4-6-8-16/h4-8,11-15,17,20H,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 46516145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).