N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide

C15H19ClN2OS — CID 61120142

IUPACN-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide
SMILESNC(=S)C1(NC(=O)Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H19ClN2OS/c16-12-6-4-11(5-7-12)10-13(19)18-15(14(17)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H2,17,20)(H,18,19)
InChIKeyJZNLMBRJFYSCMV-UHFFFAOYSA-N
MW310.85 g/mol
LogP2.99
Rot. Bonds4

About N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide

N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide (PubChem CID 61120142) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide
PubChem CID61120142
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide
SMILESNC(=S)C1(NC(=O)Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H19ClN2OS/c16-12-6-4-11(5-7-12)10-13(19)18-15(14(17)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H2,17,20)(H,18,19)
InChIKeyJZNLMBRJFYSCMV-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcycloheptyl)-2-(4-fluorophenyl)acetamide
CID 61119962
2-(4-bromophenyl)-N-(1-carbamothioylcycloheptyl)acetamide
CID 61119765
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572
N-(1-carbamothioylcycloheptyl)-2-(2-fluorophenyl)acetamide
CID 61119179
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
N-(1-carbamothioylcyclohexyl)-4-methylpentanamide
CID 61121329

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide (CID 61120142) is N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide is NC(=S)C1(NC(=O)Cc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is JZNLMBRJFYSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c16-12-6-4-11(5-7-12)10-13(19)18-15(14(17)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H2,17,20)(H,18,19).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide?
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 310.85 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 61120142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).