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

C15H10Cl2N2OS — CID 4676424

IUPAC3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c1-8-5-6-18-11(7-8)19-15(20)14-13(17)12-9(16)3-2-4-10(12)21-14/h2-7H,1H3,(H,18,19,20)
InChIKeyBWDXMSBNMRLUJW-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.16
Rot. Bonds2

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

3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 4676424) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID4676424
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c1-8-5-6-18-11(7-8)19-15(20)14-13(17)12-9(16)3-2-4-10(12)21-14/h2-7H,1H3,(H,18,19,20)
InChIKeyBWDXMSBNMRLUJW-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

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Related Compounds

3,4-dichloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 987829
3,4-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 5074180
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 896662
N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
CID 1124680
3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
3,4-dichloro-N-(4-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 1124678
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
4-methyl-N-(4-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47265636
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 4676424) is 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1ccnc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BWDXMSBNMRLUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-8-5-6-18-11(7-8)19-15(20)14-13(17)12-9(16)3-2-4-10(12)21-14/h2-7H,1H3,(H,18,19,20).
What are the key properties of 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
3,4-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 3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4676424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).