4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C9H11NOS — CID 13308348

IUPAC4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1csc2c1CCCC2
InChIInChI=1S/C9H11NOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H2,10,11)
InChIKeyVTJUDAHMLJPMOG-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.73
Rot. Bonds1

About 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 13308348) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID13308348
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1csc2c1CCCC2
InChIInChI=1S/C9H11NOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H2,10,11)
InChIKeyVTJUDAHMLJPMOG-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7835295
N-(4-carbamoylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17015665
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7835278
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 79410367
butyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 78915216
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43394066
2-methyl-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)propanenitrile
CID 130815448
N-(3-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43016539
N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4248880
N-(2-hydroxypropyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55060823
N-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18863092
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 6618957

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 13308348) is 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NC(=O)c1csc2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is VTJUDAHMLJPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H2,10,11).
What are the key properties of 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 181.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 13308348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).