N-(2-carbamothioylphenyl)cyclopentanecarboxamide

C13H16N2OS — CID 24703566

IUPACN-(2-carbamothioylphenyl)cyclopentanecarboxamide
SMILESNC(=S)c1ccccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16N2OS/c14-12(17)10-7-3-4-8-11(10)15-13(16)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,17)(H,15,16)
InChIKeyGQIKFUWUJXEJHO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.45
Rot. Bonds3

About N-(2-carbamothioylphenyl)cyclopentanecarboxamide

N-(2-carbamothioylphenyl)cyclopentanecarboxamide (PubChem CID 24703566) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)cyclopentanecarboxamide
PubChem CID24703566
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(2-carbamothioylphenyl)cyclopentanecarboxamide
SMILESNC(=S)c1ccccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16N2OS/c14-12(17)10-7-3-4-8-11(10)15-13(16)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,17)(H,15,16)
InChIKeyGQIKFUWUJXEJHO-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
N-(5-bromo-2-carbamothioylphenyl)cyclopentanecarboxamide
CID 114002608
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
N-(4-bromo-2-carbamothioylphenyl)cyclooctanecarboxamide
CID 82695033
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-carbamothioylphenyl)cyclopentanecarboxamide (CID 24703566) is N-(2-carbamothioylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-carbamothioylphenyl)cyclopentanecarboxamide is NC(=S)c1ccccc1NC(=O)C1CCCC1.
What is the InChIKey of N-(2-carbamothioylphenyl)cyclopentanecarboxamide?
The InChIKey is GQIKFUWUJXEJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-12(17)10-7-3-4-8-11(10)15-13(16)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,17)(H,15,16).
What are the key properties of N-(2-carbamothioylphenyl)cyclopentanecarboxamide?
N-(2-carbamothioylphenyl)cyclopentanecarboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 24703566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).