3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide

C13H12ClNOS — CID 903260

IUPAC3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NC3CC3)sc2c1
InChIInChI=1S/C13H12ClNOS/c1-7-2-5-9-10(6-7)17-12(11(9)14)13(16)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,15,16)
InChIKeyDFBSVCLRJJBHCK-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.76
Rot. Bonds2

About 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide

3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 903260) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID903260
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC Name3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NC3CC3)sc2c1
InChIInChI=1S/C13H12ClNOS/c1-7-2-5-9-10(6-7)17-12(11(9)14)13(16)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,15,16)
InChIKeyDFBSVCLRJJBHCK-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 2329285
N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 2464066
3,6-Dichloro-N-cyclopropylbenzo[b]thiophene-2-carboxamide
CID 9079896
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 18163749
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CID 874448
N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide
CID 1477944
3-chloro-6-methyl-N-(tetrahydro-2-furanylmethyl)-1-benzothiophene-2-carboxamide
CID 2878759
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-benzothiophene-2-carboxamide
CID 2973977
(3-Chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4152572
3-chloro-N-[2-(dimethylamino)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 1246970

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide (CID 903260) is 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)NC3CC3)sc2c1.
What is the InChIKey of 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is DFBSVCLRJJBHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-7-2-5-9-10(6-7)17-12(11(9)14)13(16)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 265.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 903260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).