3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C15H10Cl2N2OS — CID 842069

IUPAC3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c1-8-4-5-18-12(6-8)19-15(20)14-13(17)10-3-2-9(16)7-11(10)21-14/h2-7H,1H3,(H,18,19,20)
InChIKeyIWHUWWSQDDVDFL-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.16
Rot. Bonds2

About 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 842069) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID842069
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c1-8-4-5-18-12(6-8)19-15(20)14-13(17)10-3-2-9(16)7-11(10)21-14/h2-7H,1H3,(H,18,19,20)
InChIKeyIWHUWWSQDDVDFL-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-dichloro-N-(4-methyl-2-pyridinyl)-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

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 842069) is 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1ccnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is IWHUWWSQDDVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-8-4-5-18-12(6-8)19-15(20)14-13(17)10-3-2-9(16)7-11(10)21-14/h2-7H,1H3,(H,18,19,20).
What are the key properties of 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 842069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).