N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide

C15H20N2O2S — CID 61121119

IUPACN-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(N)=S)CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-19-12-7-5-11(6-8-12)13(18)17-15(14(16)20)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H2,16,20)(H,17,18)
InChIKeyGWDNGNZOJDKCPF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.41
Rot. Bonds4

About N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide

N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide (PubChem CID 61121119) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
PubChem CID61121119
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(N)=S)CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-19-12-7-5-11(6-8-12)13(18)17-15(14(16)20)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H2,16,20)(H,17,18)
InChIKeyGWDNGNZOJDKCPF-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 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 ≤ 52.41
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

N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
3-bromo-N-(1-carbamothioylcycloheptyl)-4-methylbenzamide
CID 81457319
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
N-carbamothioyl-4-methoxybenzamide
CID 14007083
3-bromo-N-(1-carbamothioylcyclohexyl)-4-chlorobenzamide
CID 107999039
3-bromo-N-(1-carbamothioylcycloheptyl)-4-chlorobenzamide
CID 107999041
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide (CID 61121119) is N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2(C(N)=S)CCCCC2)cc1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide?
The InChIKey is GWDNGNZOJDKCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-12-7-5-11(6-8-12)13(18)17-15(14(16)20)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide?
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide has a molecular weight of 292.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide is sourced from PubChem (CID 61121119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).