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

C14H19NOS — CID 3242671

IUPACN-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCC1)c1csc2c1CCCC2
InChIInChI=1S/C14H19NOS/c16-14(15-10-5-1-2-6-10)12-9-17-13-8-4-3-7-11(12)13/h9-10H,1-8H2,(H,15,16)
InChIKeyOQAJXJSAWFWGSM-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.30
Rot. Bonds2

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

N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3242671) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3242671
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCC1)c1csc2c1CCCC2
InChIInChI=1S/C14H19NOS/c16-14(15-10-5-1-2-6-10)12-9-17-13-8-4-3-7-11(12)13/h9-10H,1-8H2,(H,15,16)
InChIKeyOQAJXJSAWFWGSM-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3242671) is N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NC1CCCC1)c1csc2c1CCCC2.
What is the InChIKey of N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is OQAJXJSAWFWGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-14(15-10-5-1-2-6-10)12-9-17-13-8-4-3-7-11(12)13/h9-10H,1-8H2,(H,15,16).
What are the key properties of N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 249.38 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 N-cyclopentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3242671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).