N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide

C18H20N2O2S — CID 17045738

IUPACN-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCc1cccc(NC(=S)NC(=O)c2ccccc2OC(C)C)c1
InChIInChI=1S/C18H20N2O2S/c1-12(2)22-16-10-5-4-9-15(16)17(21)20-18(23)19-14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H2,19,20,21,23)
InChIKeyBWFVMPGUSRYKRE-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.91
Rot. Bonds4

About N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide

N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide (PubChem CID 17045738) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
PubChem CID17045738
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCc1cccc(NC(=S)NC(=O)c2ccccc2OC(C)C)c1
InChIInChI=1S/C18H20N2O2S/c1-12(2)22-16-10-5-4-9-15(16)17(21)20-18(23)19-14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H2,19,20,21,23)
InChIKeyBWFVMPGUSRYKRE-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.91
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-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 26165046
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17079945
N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17223224
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045900
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045856
N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17222182
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902
5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17251819
N-[(4-anilinophenyl)carbamothioyl]-5-bromo-2-propan-2-yloxybenzamide
CID 17051915
N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 46760897
5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17204785

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide (CID 17045738) is N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide is Cc1cccc(NC(=S)NC(=O)c2ccccc2OC(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The InChIKey is BWFVMPGUSRYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(2)22-16-10-5-4-9-15(16)17(21)20-18(23)19-14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H2,19,20,21,23).
What are the key properties of N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide has a molecular weight of 328.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17045738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).