3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C15H10ClIN2OS — CID 2212200

IUPAC3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2sc3ccccc3c2Cl)ccc1I
InChIInChI=1S/C15H10ClIN2OS/c1-8-10(17)6-7-12(18-8)19-15(20)14-13(16)9-4-2-3-5-11(9)21-14/h2-7H,1H3,(H,18,19,20)
InChIKeyUOLWFARAHLAIGA-UHFFFAOYSA-N
MW428.68 g/mol
LogP5.12
Rot. Bonds2

About 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 2212200) has the molecular formula C15H10ClIN2OS and a molecular weight of 428.68 g/mol. Its IUPAC name is 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID2212200
Molecular FormulaC15H10ClIN2OS
Molecular Weight428.68 g/mol
Exact Mass427.92
IUPAC Name3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2sc3ccccc3c2Cl)ccc1I
InChIInChI=1S/C15H10ClIN2OS/c1-8-10(17)6-7-12(18-8)19-15(20)14-13(16)9-4-2-3-5-11(9)21-14/h2-7H,1H3,(H,18,19,20)
InChIKeyUOLWFARAHLAIGA-UHFFFAOYSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.68
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
CID 1012016
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 5079881
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 2212200) is 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1nc(NC(=O)c2sc3ccccc3c2Cl)ccc1I.
What is the InChIKey of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UOLWFARAHLAIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2OS/c1-8-10(17)6-7-12(18-8)19-15(20)14-13(16)9-4-2-3-5-11(9)21-14/h2-7H,1H3,(H,18,19,20).
What are the key properties of 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 428.68 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2212200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).