4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

C20H18ClN3O3S2 — CID 55642713

IUPAC4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2nccs2)ccc1Cl
InChIInChI=1S/C20H18ClN3O3S2/c1-3-12-24(16-7-5-4-6-8-16)29(26,27)18-14-15(9-10-17(18)21)19(25)23(2)20-22-11-13-28-20/h3-11,13-14H,1,12H2,2H3
InChIKeyLBLVSDGOWBEWFW-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.45
Rot. Bonds7

About 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 55642713) has the molecular formula C20H18ClN3O3S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID55642713
Molecular FormulaC20H18ClN3O3S2
Molecular Weight447.97 g/mol
Exact Mass447.05
IUPAC Name4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2nccs2)ccc1Cl
InChIInChI=1S/C20H18ClN3O3S2/c1-3-12-24(16-7-5-4-6-8-16)29(26,27)18-14-15(9-10-17(18)21)19(25)23(2)20-22-11-13-28-20/h3-11,13-14H,1,12H2,2H3
InChIKeyLBLVSDGOWBEWFW-UHFFFAOYSA-N
XLogP4.45
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)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-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4782416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 55642713) is 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2nccs2)ccc1Cl.
What is the InChIKey of 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LBLVSDGOWBEWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S2/c1-3-12-24(16-7-5-4-6-8-16)29(26,27)18-14-15(9-10-17(18)21)19(25)23(2)20-22-11-13-28-20/h3-11,13-14H,1,12H2,2H3.
What are the key properties of 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 447.97 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55642713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).