4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide

C17H24N2OS — CID 62405626

IUPAC4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C(N)=S)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-2-15(12-6-4-3-5-7-12)19-17(20)14-10-8-13(9-11-14)16(18)21/h8-12,15H,2-7H2,1H3,(H2,18,21)(H,19,20)
InChIKeyCSNDXAZFMFLZHM-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.41
Rot. Bonds5

About 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide

4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide (PubChem CID 62405626) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
PubChem CID62405626
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C(N)=S)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-2-15(12-6-4-3-5-7-12)19-17(20)14-10-8-13(9-11-14)16(18)21/h8-12,15H,2-7H2,1H3,(H2,18,21)(H,19,20)
InChIKeyCSNDXAZFMFLZHM-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.41
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-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034
N-(1-cyclohexylpropyl)-1H-indole-5-carboxamide
CID 63718650
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
1-cyclohexylpropylthiourea
CID 62407553
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
CID 63189612
4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide
CID 55179184
N-(1-cyclohexylpropyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62407615
N-(1-cyclohexylpropyl)-2-sulfanylbenzamide
CID 107028366
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide (CID 62405626) is 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide is CCC(NC(=O)c1ccc(C(N)=S)cc1)C1CCCCC1.
What is the InChIKey of 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide?
The InChIKey is CSNDXAZFMFLZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-15(12-6-4-3-5-7-12)19-17(20)14-10-8-13(9-11-14)16(18)21/h8-12,15H,2-7H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide?
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide has a molecular weight of 304.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide is sourced from PubChem (CID 62405626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).