N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide

C18H20N2O3S2 — CID 18116029

IUPACN-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(CC=C)Cc2cccs2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-3-11-19-25(22,23)17-9-7-15(8-10-17)18(21)20(12-4-2)14-16-6-5-13-24-16/h3-10,13,19H,1-2,11-12,14H2
InChIKeyOVRQNZQMGIQJHM-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.04
Rot. Bonds9

About N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide

N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 18116029) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID18116029
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(CC=C)Cc2cccs2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-3-11-19-25(22,23)17-9-7-15(8-10-17)18(21)20(12-4-2)14-16-6-5-13-24-16/h3-10,13,19H,1-2,11-12,14H2
InChIKeyOVRQNZQMGIQJHM-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)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-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 24548150
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 51207453
4-bromo-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801601
4-chloro-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801544
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-prop-2-enylbenzamide
CID 3957992
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 56521695
4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55452972
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide (CID 18116029) is N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)N(CC=C)Cc2cccs2)cc1.
What is the InChIKey of N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OVRQNZQMGIQJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-3-11-19-25(22,23)17-9-7-15(8-10-17)18(21)20(12-4-2)14-16-6-5-13-24-16/h3-10,13,19H,1-2,11-12,14H2.
What are the key properties of N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 18116029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).