N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide

C15H20N2O2S — CID 797142

IUPACN-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-19-13-9-7-12(8-10-13)16-15(20)17-14(18)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,16,17,18,20)
InChIKeyLXBUXXHCTKPSGM-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.09
Rot. Bonds3

About N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide

N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 797142) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID797142
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-19-13-9-7-12(8-10-13)16-15(20)17-14(18)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,16,17,18,20)
InChIKeyLXBUXXHCTKPSGM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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

AR-15512
CID 11266244
Isoxyl
CID 3001386
N-(4-Methoxyphenyl)-N'-phenylthiourea
CID 686507
2-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 880925
1,3-Bis(4-methoxyphenyl)thiourea
CID 706970
N,N'-(Di-p-methoxyphenyl)urea
CID 136951
N-(4-methoxyphenyl)cyclopentanecarboxamide
CID 531886
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989
N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833540
2-(4-methoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]acetamide
CID 833603
N-{[(2,4-dimethoxyphenyl)amino]carbonothioyl}-2-phenylacetamide
CID 884330
N-{[(4-methoxyphenyl)amino]carbonyl}benzamide
CID 977500

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide (CID 797142) is N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide is COc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is LXBUXXHCTKPSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-13-9-7-12(8-10-13)16-15(20)17-14(18)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,16,17,18,20).
What are the key properties of N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 797142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).