N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide

C15H18N2OS — CID 4578060

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide
SMILESN#Cc1c(NC(=O)C2CCCC2)sc2c1CCCC2
InChIInChI=1S/C15H18N2OS/c16-9-12-11-7-3-4-8-13(11)19-15(12)17-14(18)10-5-1-2-6-10/h10H,1-8H2,(H,17,18)
InChIKeyPFQBACAQJWHDLO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.63
Rot. Bonds2

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide (PubChem CID 4578060) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide
PubChem CID4578060
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide
SMILESN#Cc1c(NC(=O)C2CCCC2)sc2c1CCCC2
InChIInChI=1S/C15H18N2OS/c16-9-12-11-7-3-4-8-13(11)19-15(12)17-14(18)10-5-1-2-6-10/h10H,1-8H2,(H,17,18)
InChIKeyPFQBACAQJWHDLO-UHFFFAOYSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide (CID 4578060) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide is N#Cc1c(NC(=O)C2CCCC2)sc2c1CCCC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide?
The InChIKey is PFQBACAQJWHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-9-12-11-7-3-4-8-13(11)19-15(12)17-14(18)10-5-1-2-6-10/h10H,1-8H2,(H,17,18).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 4578060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).