3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

C10H8ClNO2S — CID 652152

IUPAC3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(N)=O)sc2c1
InChIInChI=1S/C10H8ClNO2S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13)
InChIKeyIWPCUYGXTLHCHD-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.66
Rot. Bonds2

About 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

3-chloro-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 652152) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID652152
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(N)=O)sc2c1
InChIInChI=1S/C10H8ClNO2S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13)
InChIKeyIWPCUYGXTLHCHD-UHFFFAOYSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-methoxy-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
CID 2225376
3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 648597
3-Chloro-6-methoxy-1-benzothiophene-2-carbohydrazide
CID 939755
3-Chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 693153
3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 1358918
N-(2-chlorobenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168290551
N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 675788
6-Methoxy-3-(1-methylethoxy)benzo[b]thiophene-2-carboxamide
CID 10264843
3-Chloro-N-[5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl]benzo[b]thiophene-2-carboxamide (5e)
CID 126842918
3-chloro-6-methoxy-N-[(E)-(3-oxocyclohexylidene)amino]-1-benzothiophene-2-carboxamide
CID 9659007
N-hydroxy-4-methoxy-1-benzothiophene-2-carboxamide
CID 71714529
3-chloro-6-fluoro-N-(2-methoxybenzyl)-1-benzothiophene-2-carboxamide
CID 897655

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide (CID 652152) is 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(Cl)c(C(N)=O)sc2c1.
What is the InChIKey of 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is IWPCUYGXTLHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13).
What are the key properties of 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
3-chloro-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 241.70 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 652152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).