N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide

C17H24N2OS — CID 61119533

IUPACN-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2(C(N)=S)CCCCC2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11-9-12(2)14(13(3)10-11)15(20)19-17(16(18)21)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyBRNBURYSNHUNIV-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.33
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide

N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide (PubChem CID 61119533) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
PubChem CID61119533
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2(C(N)=S)CCCCC2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11-9-12(2)14(13(3)10-11)15(20)19-17(16(18)21)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyBRNBURYSNHUNIV-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.33
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)-2,4-dimethylbenzamide
CID 61118946
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
3-bromo-N-(1-carbamothioylcycloheptyl)-4-methylbenzamide
CID 81457319
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
CID 114314026
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(1-carbamothioylcyclopentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670382
N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
CID 61119914
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide (CID 61119533) is N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC2(C(N)=S)CCCCC2)c(C)c1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide?
The InChIKey is BRNBURYSNHUNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-9-12(2)14(13(3)10-11)15(20)19-17(16(18)21)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide?
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide has a molecular weight of 304.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 61119533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).