N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide

C18H26N2O2S — CID 4937464

IUPACN-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-13(2)12-22-16-10-8-14(9-11-16)17(21)20-18(23)19-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyDKCFCXYBXGQFCK-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.66
Rot. Bonds5

About N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide

N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide (PubChem CID 4937464) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
PubChem CID4937464
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC NameN-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-13(2)12-22-16-10-8-14(9-11-16)17(21)20-18(23)19-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyDKCFCXYBXGQFCK-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353863
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17176616
N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
CID 17112920
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
methyl 4-(cyclopentylcarbamothioylcarbamoyl)benzoate
CID 17178596
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680572
N-(3-methoxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17140196
N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17162162
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4950091
N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4930224

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide (CID 4937464) is N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is DKCFCXYBXGQFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13(2)12-22-16-10-8-14(9-11-16)17(21)20-18(23)19-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 334.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4937464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).