N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide

C16H22N2OS — CID 62971169

IUPACN-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCCC1)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H22N2OS/c1-18(14-9-5-8-13(11-14)16(17)20)15(19)10-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H2,17,20)
InChIKeyFIIQMODGVZIQOM-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.25
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide

N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide (PubChem CID 62971169) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
PubChem CID62971169
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCCC1)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H22N2OS/c1-18(14-9-5-8-13(11-14)16(17)20)15(19)10-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H2,17,20)
InChIKeyFIIQMODGVZIQOM-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.25
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

N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
CID 62971153
2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 76932669
N-(4-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62970842
N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80722470
2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 123790162
2-cyclohexyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 43210198
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
CID 62971504
2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996
N-(3-carbamothioylphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55141561
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide (CID 62971169) is N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide is CN(C(=O)CC1CCCCC1)c1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide?
The InChIKey is FIIQMODGVZIQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18(14-9-5-8-13(11-14)16(17)20)15(19)10-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H2,17,20).
What are the key properties of N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide?
N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide has a molecular weight of 290.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 62971169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).