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

C15H19ClN2OS — CID 4940486

IUPAC3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
SMILESCN(C(=S)NC(=O)c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H19ClN2OS/c1-18(13-8-3-2-4-9-13)15(20)17-14(19)11-6-5-7-12(16)10-11/h5-7,10,13H,2-4,8-9H2,1H3,(H,17,19,20)
InChIKeyNVBILLHEZURGQV-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.62
Rot. Bonds2

About 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide

3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide (PubChem CID 4940486) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
PubChem CID4940486
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
SMILESCN(C(=S)NC(=O)c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H19ClN2OS/c1-18(13-8-3-2-4-9-13)15(20)17-14(19)11-6-5-7-12(16)10-11/h5-7,10,13H,2-4,8-9H2,1H3,(H,17,19,20)
InChIKeyNVBILLHEZURGQV-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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Related Compounds

3-chloro-N-(dimethylcarbamothioyl)benzamide
CID 2302012
3-chloro-N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4940489
3-chloro-N-[(cyclohexanecarbonylamino)carbamothioyl]benzamide
CID 4940684
N-[cyclohexyl(methyl)carbamothioyl]-4-nitrobenzamide
CID 4923278
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
3-bromo-N-[cyclohexyl(methyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17073042
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
3-chloro-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4940435
3-chloro-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28587912
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)-methylamino]cyclohexane-1-carboxylate
CID 118319568
N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxybenzamide
CID 4934068
3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108906460

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
The IUPAC name of 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide (CID 4940486) is 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
The canonical SMILES for 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide is CN(C(=S)NC(=O)c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
The InChIKey is NVBILLHEZURGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-18(13-8-3-2-4-9-13)15(20)17-14(19)11-6-5-7-12(16)10-11/h5-7,10,13H,2-4,8-9H2,1H3,(H,17,19,20).
What are the key properties of 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide?
3-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 3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide is sourced from PubChem (CID 4940486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).