3-chloro-N-ethyl-1-benzothiophene-2-carboxamide

C11H10ClNOS — CID 1080679

IUPAC3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C11H10ClNOS/c1-2-13-11(14)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyJBNOXOJCFHIKOI-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.30
Rot. Bonds2

About 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide

3-chloro-N-ethyl-1-benzothiophene-2-carboxamide (PubChem CID 1080679) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
PubChem CID1080679
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C11H10ClNOS/c1-2-13-11(14)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyJBNOXOJCFHIKOI-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 115700960
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005
3-chloro-N-(2-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 977596
[2-(ethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2693362
2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120534686
methyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 103879219

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide (CID 1080679) is 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide is CCNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide?
The InChIKey is JBNOXOJCFHIKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-2-13-11(14)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide?
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide has a molecular weight of 239.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1080679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).