N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide

C15H20N2O2S — CID 61120929

IUPACN-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCCCC2)c(O)c1
InChIInChI=1S/C15H20N2O2S/c1-10-5-6-11(12(18)9-10)13(19)17-15(14(16)20)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H2,16,20)(H,17,19)
InChIKeyVGTVOGVUVDREAD-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.42
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide

N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide (PubChem CID 61120929) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
PubChem CID61120929
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCCCC2)c(O)c1
InChIInChI=1S/C15H20N2O2S/c1-10-5-6-11(12(18)9-10)13(19)17-15(14(16)20)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H2,16,20)(H,17,19)
InChIKeyVGTVOGVUVDREAD-UHFFFAOYSA-N
XLogP2.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63756003
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
N-(1-carbamothioylcyclopentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670382
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide (CID 61120929) is N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2(C(N)=S)CCCCC2)c(O)c1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is VGTVOGVUVDREAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-5-6-11(12(18)9-10)13(19)17-15(14(16)20)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide?
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 292.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 61120929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).