N-(cyclohexylcarbamothioyl)-4-methylbenzamide

C15H20N2OS — CID 923682

IUPACN-(cyclohexylcarbamothioyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H20N2OS/c1-11-7-9-12(10-8-11)14(18)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyKSCMSRDNXNVXAY-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.93
Rot. Bonds2

About N-(cyclohexylcarbamothioyl)-4-methylbenzamide

N-(cyclohexylcarbamothioyl)-4-methylbenzamide (PubChem CID 923682) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-4-methylbenzamide
PubChem CID923682
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(cyclohexylcarbamothioyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H20N2OS/c1-11-7-9-12(10-8-11)14(18)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyKSCMSRDNXNVXAY-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.93
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-cyclooctyl-4-methylbenzamide
CID 3995245
methyl 4-(cyclopentylcarbamothioylcarbamoyl)benzoate
CID 17178596
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353863
4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide
CID 11358251
N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 4937464
N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
CID 17112920
N-(cyclopropylcarbamothioyl)benzamide
CID 3620996
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-4-methylbenzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-4-methylbenzamide (CID 923682) is N-(cyclohexylcarbamothioyl)-4-methylbenzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-4-methylbenzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-4-methylbenzamide is Cc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-4-methylbenzamide?
The InChIKey is KSCMSRDNXNVXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-7-9-12(10-8-11)14(18)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(cyclohexylcarbamothioyl)-4-methylbenzamide?
N-(cyclohexylcarbamothioyl)-4-methylbenzamide has a molecular weight of 276.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)-4-methylbenzamide is sourced from PubChem (CID 923682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).