N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide

C16H11Cl2NOS — CID 66596334

IUPACN-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2csc3ccccc23)cc1Cl
InChIInChI=1S/C16H11Cl2NOS/c1-9-6-13(18)14(7-12(9)17)19-16(20)11-8-21-15-5-3-2-4-10(11)15/h2-8H,1H3,(H,19,20)
InChIKeyIGWVMIFNMDKWII-UHFFFAOYSA-N
MW336.24 g/mol
LogP5.77
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide

N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide (PubChem CID 66596334) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
PubChem CID66596334
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2csc3ccccc23)cc1Cl
InChIInChI=1S/C16H11Cl2NOS/c1-9-6-13(18)14(7-12(9)17)19-16(20)11-8-21-15-5-3-2-4-10(11)15/h2-8H,1H3,(H,19,20)
InChIKeyIGWVMIFNMDKWII-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.24
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-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-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 103811101
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804
N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
CID 103745253
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
N-[2-(chloromethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 114298566
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide
CID 1247322
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
CID 25343168
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide (CID 66596334) is N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide is Cc1cc(Cl)c(NC(=O)c2csc3ccccc23)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is IGWVMIFNMDKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/c1-9-6-13(18)14(7-12(9)17)19-16(20)11-8-21-15-5-3-2-4-10(11)15/h2-8H,1H3,(H,19,20).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 336.24 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 66596334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).