2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide

C21H16Cl2N2OS — CID 3656316

IUPAC2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide
SMILESCCc1ccc(-c2c(C)sc(NC(=O)c3cccc(Cl)c3Cl)c2C#N)cc1
InChIInChI=1S/C21H16Cl2N2OS/c1-3-13-7-9-14(10-8-13)18-12(2)27-21(16(18)11-24)25-20(26)15-5-4-6-17(22)19(15)23/h4-10H,3H2,1-2H3,(H,25,26)
InChIKeyYWRDFZARYGYKSD-UHFFFAOYSA-N
MW415.35 g/mol
LogP6.72
Rot. Bonds4

About 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide

2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide (PubChem CID 3656316) has the molecular formula C21H16Cl2N2OS and a molecular weight of 415.35 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide
PubChem CID3656316
Molecular FormulaC21H16Cl2N2OS
Molecular Weight415.35 g/mol
Exact Mass414.04
IUPAC Name2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide
SMILESCCc1ccc(-c2c(C)sc(NC(=O)c3cccc(Cl)c3Cl)c2C#N)cc1
InChIInChI=1S/C21H16Cl2N2OS/c1-3-13-7-9-14(10-8-13)18-12(2)27-21(16(18)11-24)25-20(26)15-5-4-6-17(22)19(15)23/h4-10H,3H2,1-2H3,(H,25,26)
InChIKeyYWRDFZARYGYKSD-UHFFFAOYSA-N
XLogP6.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.35
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-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

propyl 2-[(2-chlorobenzoyl)amino]-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate
CID 3610552
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
CID 3294417
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]butanamide
CID 4586733
2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
ethyl 3-chloro-2-cyanobenzoate
CID 14696600
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide
CID 5175072
2-chloro-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)benzamide
CID 19226463
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide
CID 54771397
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2217163

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide (CID 3656316) is 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide is CCc1ccc(-c2c(C)sc(NC(=O)c3cccc(Cl)c3Cl)c2C#N)cc1.
What is the InChIKey of 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide?
The InChIKey is YWRDFZARYGYKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2OS/c1-3-13-7-9-14(10-8-13)18-12(2)27-21(16(18)11-24)25-20(26)15-5-4-6-17(22)19(15)23/h4-10H,3H2,1-2H3,(H,25,26).
What are the key properties of 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide?
2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide has a molecular weight of 415.35 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide is sourced from PubChem (CID 3656316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).