3-carbamothioyl-N-cyclopentylbenzamide

C13H16N2OS — CID 24691849

IUPAC3-carbamothioyl-N-cyclopentylbenzamide
SMILESNC(=S)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16N2OS/c14-12(17)9-4-3-5-10(8-9)13(16)15-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H2,14,17)(H,15,16)
InChIKeyVAOXIXAVALEDAL-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.99
Rot. Bonds3

About 3-carbamothioyl-N-cyclopentylbenzamide

3-carbamothioyl-N-cyclopentylbenzamide (PubChem CID 24691849) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-carbamothioyl-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-cyclopentylbenzamide
PubChem CID24691849
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-carbamothioyl-N-cyclopentylbenzamide
SMILESNC(=S)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16N2OS/c14-12(17)9-4-3-5-10(8-9)13(16)15-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H2,14,17)(H,15,16)
InChIKeyVAOXIXAVALEDAL-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 43568522
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
benzene-1,3-dicarbonyl chloride;cyclohexanamine;1-N,3-N-dicyclohexylbenzene-1,3-dicarboxamide
CID 157227536
N-cyclooctyl-3-methylbenzamide
CID 966011
[3-(cyclopentylcarbamoyl)phenyl]borinic acid
CID 142459248
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-cyclopentyl-3-phenoxybenzamide
CID 2684460

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-cyclopentylbenzamide?
The IUPAC name of 3-carbamothioyl-N-cyclopentylbenzamide (CID 24691849) is 3-carbamothioyl-N-cyclopentylbenzamide.
What is the SMILES notation for 3-carbamothioyl-N-cyclopentylbenzamide?
The canonical SMILES for 3-carbamothioyl-N-cyclopentylbenzamide is NC(=S)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-carbamothioyl-N-cyclopentylbenzamide?
The InChIKey is VAOXIXAVALEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-12(17)9-4-3-5-10(8-9)13(16)15-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H2,14,17)(H,15,16).
What are the key properties of 3-carbamothioyl-N-cyclopentylbenzamide?
3-carbamothioyl-N-cyclopentylbenzamide has a molecular weight of 248.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-cyclopentylbenzamide is sourced from PubChem (CID 24691849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).