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

C17H15ClN2OS — CID 2165647

IUPAC3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1
InChIInChI=1S/C17H15ClN2OS/c1-9-4-5-12-13(7-9)22-16(15(12)18)17(21)20-14-8-10(2)6-11(3)19-14/h4-8H,1-3H3,(H,19,20,21)
InChIKeyXGZLWUSSMJJESC-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.13
Rot. Bonds2

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

3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 2165647) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID2165647
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1
InChIInChI=1S/C17H15ClN2OS/c1-9-4-5-12-13(7-9)22-16(15(12)18)17(21)20-14-8-10(2)6-11(3)19-14/h4-8H,1-3H3,(H,19,20,21)
InChIKeyXGZLWUSSMJJESC-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-1-benzothiophene-2-carboxamide
CID 2931449
3-chloro-6-methyl-N-(4H-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 58190066
3-chloro-6-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-benzothiophene-2-carboxamide
CID 35181108
3-chloro-N-(2,6-diethylphenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 4582019
3-chloro-6-methyl-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2932756
3-chloro-N-[4-(diethylamino)phenyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 4093726
3-chloro-6-methyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide
CID 17013549
3-chloro-6-fluoro-N-(2-hydroxy-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16573611
3-chloro-6-methyl-N-(4-phenyldiazenylphenyl)-1-benzothiophene-2-carboxamide
CID 3465237
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
3-chloro-6-methyl-N-octyl-1-benzothiophene-2-carboxamide
CID 4081322

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide (CID 2165647) is 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide is Cc1cc(C)nc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1.
What is the InChIKey of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is XGZLWUSSMJJESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-9-4-5-12-13(7-9)22-16(15(12)18)17(21)20-14-8-10(2)6-11(3)19-14/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2165647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).