3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C19H14Cl2N2O2S — CID 35684859

IUPAC3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C19H14Cl2N2O2S/c20-12-5-3-7-14-15(12)16(21)17(26-14)19(25)23-13-6-2-1-4-11(13)18(24)22-10-8-9-10/h1-7,10H,8-9H2,(H,22,24)(H,23,25)
InChIKeyYEXBGLGANHNURG-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.35
Rot. Bonds4

About 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 35684859) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID35684859
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC Name3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C19H14Cl2N2O2S/c20-12-5-3-7-14-15(12)16(21)17(26-14)19(25)23-13-6-2-1-4-11(13)18(24)22-10-8-9-10/h1-7,10H,8-9H2,(H,22,24)(H,23,25)
InChIKeyYEXBGLGANHNURG-UHFFFAOYSA-N
XLogP5.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide 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

N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2933416
3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide
CID 85498486
3,4-dichloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 987829
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
CID 1124680
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164355
3,4-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 5074180
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27675364
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 35684859) is 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(NC1CC1)c1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is YEXBGLGANHNURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c20-12-5-3-7-14-15(12)16(21)17(26-14)19(25)23-13-6-2-1-4-11(13)18(24)22-10-8-9-10/h1-7,10H,8-9H2,(H,22,24)(H,23,25).
What are the key properties of 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 405.31 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35684859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).