N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide

C16H22N2OS — CID 61118946

IUPACN-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCCCC2)c(C)c1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-13(12(2)10-11)14(19)18-16(15(17)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyWVJQTTBCNPGYTP-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.02
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide

N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide (PubChem CID 61118946) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
PubChem CID61118946
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCCCC2)c(C)c1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-13(12(2)10-11)14(19)18-16(15(17)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyWVJQTTBCNPGYTP-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.02
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-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
3-bromo-N-(1-carbamothioylcycloheptyl)-4-methylbenzamide
CID 81457319
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
CID 107982246
N-(1-carbamothioylcyclopentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670382
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide (CID 61118946) is N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC2(C(N)=S)CCCCC2)c(C)c1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide?
The InChIKey is WVJQTTBCNPGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-6-7-13(12(2)10-11)14(19)18-16(15(17)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide?
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide has a molecular weight of 290.43 g/mol, XLogP of 3.02, 3 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-dimethylbenzamide is sourced from PubChem (CID 61118946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).