N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C21H22N2O3S2 — CID 46596325

IUPACN-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O3S2/c1-16(17-6-3-2-4-7-17)23-21(24)18-9-11-20(12-10-18)28(25,26)22-14-13-19-8-5-15-27-19/h2-12,15-16,22H,13-14H2,1H3,(H,23,24)
InChIKeyCISKLAHNVZRJBW-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.76
Rot. Bonds8

About N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 46596325) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID46596325
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O3S2/c1-16(17-6-3-2-4-7-17)23-21(24)18-9-11-20(12-10-18)28(25,26)22-14-13-19-8-5-15-27-19/h2-12,15-16,22H,13-14H2,1H3,(H,23,24)
InChIKeyCISKLAHNVZRJBW-UHFFFAOYSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)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

4-[2-(dimethylamino)ethylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 109060131
N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 43060346
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55595735
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31909402
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
CID 55959107
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 46596325) is N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is CC(NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is CISKLAHNVZRJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-16(17-6-3-2-4-7-17)23-21(24)18-9-11-20(12-10-18)28(25,26)22-14-13-19-8-5-15-27-19/h2-12,15-16,22H,13-14H2,1H3,(H,23,24).
What are the key properties of N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 46596325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).