4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide

C15H18N2O2S — CID 11358251

IUPAC4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)NC2CCCCC2=O)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-6-8-11(9-7-10)14(19)17-15(20)16-12-4-2-3-5-13(12)18/h6-9,12H,2-5H2,1H3,(H2,16,17,19,20)
InChIKeyHPPVFBSLDPUYPQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.11
Rot. Bonds2

About 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide

4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide (PubChem CID 11358251) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide
PubChem CID11358251
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)NC2CCCCC2=O)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-6-8-11(9-7-10)14(19)17-15(20)16-12-4-2-3-5-13(12)18/h6-9,12H,2-5H2,1H3,(H2,16,17,19,20)
InChIKeyHPPVFBSLDPUYPQ-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide?
The IUPAC name of 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide (CID 11358251) is 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide?
The canonical SMILES for 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide is Cc1ccc(C(=O)NC(=S)NC2CCCCC2=O)cc1.
What is the InChIKey of 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide?
The InChIKey is HPPVFBSLDPUYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-6-8-11(9-7-10)14(19)17-15(20)16-12-4-2-3-5-13(12)18/h6-9,12H,2-5H2,1H3,(H2,16,17,19,20).
What are the key properties of 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide?
4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide has a molecular weight of 290.39 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide is sourced from PubChem (CID 11358251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).