N-(cyclohexylcarbamothioyl)-4-methoxybenzamide

C15H20N2O2S — CID 969172

IUPACN-(cyclohexylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-19-13-9-7-11(8-10-13)14(18)17-15(20)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,16,17,18,20)
InChIKeyFZVDXGHGCAXVSS-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.63
Rot. Bonds3

About N-(cyclohexylcarbamothioyl)-4-methoxybenzamide

N-(cyclohexylcarbamothioyl)-4-methoxybenzamide (PubChem CID 969172) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-4-methoxybenzamide
PubChem CID969172
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(cyclohexylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-19-13-9-7-11(8-10-13)14(18)17-15(20)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,16,17,18,20)
InChIKeyFZVDXGHGCAXVSS-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.63
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-Benzoyl-3-(3,4-dimethoxyphenethyl)-2-thiourea
CID 708448
1-[4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 3097577
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
4-methoxy-N-methylbenzamide
CID 346031
AN-329/40202919
CID 1070213
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
Mls000757183
CID 346045
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
N-benzyl-4-methoxybenzamide
CID 346035
N-[(4-methoxyphenyl)methyl]benzamide
CID 3959383
N-ethyl-4-methoxybenzamide
CID 81897
N-dodecyl-4-methoxybenzamide
CID 3558529

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-4-methoxybenzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-4-methoxybenzamide (CID 969172) is N-(cyclohexylcarbamothioyl)-4-methoxybenzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-4-methoxybenzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-4-methoxybenzamide?
The InChIKey is FZVDXGHGCAXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-13-9-7-11(8-10-13)14(18)17-15(20)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,16,17,18,20).
What are the key properties of N-(cyclohexylcarbamothioyl)-4-methoxybenzamide?
N-(cyclohexylcarbamothioyl)-4-methoxybenzamide has a molecular weight of 292.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)-4-methoxybenzamide is sourced from PubChem (CID 969172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).