1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide

C15H20N2O2S — CID 107735352

IUPAC1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CCCC1)c1cccc(O)c1
InChIInChI=1S/C15H20N2O2S/c1-2-17(11-6-5-7-12(18)10-11)14(19)15(13(16)20)8-3-4-9-15/h5-7,10,18H,2-4,8-9H2,1H3,(H2,16,20)
InChIKeyQMOWTYJDVINFKF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.59
Rot. Bonds4

About 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide

1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide (PubChem CID 107735352) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide
PubChem CID107735352
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CCCC1)c1cccc(O)c1
InChIInChI=1S/C15H20N2O2S/c1-2-17(11-6-5-7-12(18)10-11)14(19)15(13(16)20)8-3-4-9-15/h5-7,10,18H,2-4,8-9H2,1H3,(H2,16,20)
InChIKeyQMOWTYJDVINFKF-UHFFFAOYSA-N
XLogP2.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-ethyl-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 80589247
1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 107735318
1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 107735320
2-(1-aminocyclohexyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734975
2-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 107734982
1-carbamothioyl-N-ethyl-N-(3-fluorophenyl)-3-methylcyclobutane-1-carboxamide
CID 80589160
1-carbamothioyl-N-ethyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 106935854
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 107737508

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide (CID 107735352) is 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide is CCN(C(=O)C1(C(N)=S)CCCC1)c1cccc(O)c1.
What is the InChIKey of 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is QMOWTYJDVINFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-17(11-6-5-7-12(18)10-11)14(19)15(13(16)20)8-3-4-9-15/h5-7,10,18H,2-4,8-9H2,1H3,(H2,16,20).
What are the key properties of 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107735352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).