4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide

C15H19ClN2OS — CID 1226749

IUPAC4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
SMILESCN(C(=S)NC(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H19ClN2OS/c1-18(13-5-3-2-4-6-13)15(20)17-14(19)11-7-9-12(16)10-8-11/h7-10,13H,2-6H2,1H3,(H,17,19,20)
InChIKeyGLZUBTVQVDFHLM-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.62
Rot. Bonds2

About 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide

4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide (PubChem CID 1226749) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
PubChem CID1226749
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
SMILESCN(C(=S)NC(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H19ClN2OS/c1-18(13-5-3-2-4-6-13)15(20)17-14(19)11-7-9-12(16)10-8-11/h7-10,13H,2-6H2,1H3,(H,17,19,20)
InChIKeyGLZUBTVQVDFHLM-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
The IUPAC name of 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide (CID 1226749) is 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
The canonical SMILES for 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide is CN(C(=S)NC(=O)c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
The InChIKey is GLZUBTVQVDFHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-18(13-5-3-2-4-6-13)15(20)17-14(19)11-7-9-12(16)10-8-11/h7-10,13H,2-6H2,1H3,(H,17,19,20).
What are the key properties of 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide has a molecular weight of 310.85 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide is sourced from PubChem (CID 1226749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).