N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide

C19H27N3O2S — CID 4939111

IUPACN-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
SMILESCC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-13(2)17(23)21-19(25)20-16-12-8-7-11-15(16)18(24)22(3)14-9-5-4-6-10-14/h7-8,11-14H,4-6,9-10H2,1-3H3,(H2,20,21,23,25)
InChIKeyQOGBUYGNYPPYJM-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.56
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide

N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide (PubChem CID 4939111) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
PubChem CID4939111
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
SMILESCC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-13(2)17(23)21-19(25)20-16-12-8-7-11-15(16)18(24)22(3)14-9-5-4-6-10-14/h7-8,11-14H,4-6,9-10H2,1-3H3,(H2,20,21,23,25)
InChIKeyQOGBUYGNYPPYJM-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.56
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-cyclohexyl-N-methyl-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide
CID 4939105
N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931
N-cyclohexyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-methylbenzamide
CID 6234541
N-cyclohexyl-2-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]-N-methylbenzamide
CID 4939099
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-N-methylbenzamide
CID 4939107
2-[(3-butoxybenzoyl)carbamothioylamino]-N-cyclohexyl-N-methylbenzamide
CID 4957122
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 4958547
3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
CID 17133511
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide
CID 154775138

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide (CID 4939111) is N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide is CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide?
The InChIKey is QOGBUYGNYPPYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-13(2)17(23)21-19(25)20-16-12-8-7-11-15(16)18(24)22(3)14-9-5-4-6-10-14/h7-8,11-14H,4-6,9-10H2,1-3H3,(H2,20,21,23,25).
What are the key properties of N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide?
N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide has a molecular weight of 361.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide is sourced from PubChem (CID 4939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).