4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide

C18H20N2O3S2 — CID 27887946

IUPAC4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O3S2/c21-18(19-12-13-24-16-4-2-1-3-5-16)14-6-10-17(11-7-14)25(22,23)20-15-8-9-15/h1-7,10-11,15,20H,8-9,12-13H2,(H,19,21)
InChIKeyZPNOPUPHIAWJNJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.65
Rot. Bonds8

About 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide

4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 27887946) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
PubChem CID27887946
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O3S2/c21-18(19-12-13-24-16-4-2-1-3-5-16)14-6-10-17(11-7-14)25(22,23)20-15-8-9-15/h1-7,10-11,15,20H,8-9,12-13H2,(H,19,21)
InChIKeyZPNOPUPHIAWJNJ-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)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

2-bromo-5-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 26444801
4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 26444549
4-(cyclopropylsulfamoyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 18113864
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
CID 27853449
N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide
CID 51219213
4-(1,3-dithiolan-2-yl)-N-(2-phenylsulfanylethyl)benzamide
CID 9482965
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide
CID 47067351
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-(cyclopropylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119447342

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide (CID 27887946) is 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is ZPNOPUPHIAWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c21-18(19-12-13-24-16-4-2-1-3-5-16)14-6-10-17(11-7-14)25(22,23)20-15-8-9-15/h1-7,10-11,15,20H,8-9,12-13H2,(H,19,21).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide?
4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 27887946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).