N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide

C18H20N2O2S — CID 823882

IUPACN-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(2)22-16-10-6-14(7-11-16)17(21)20-18(23)19-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H2,19,20,21,23)
InChIKeyOGWTWXJUPACLOF-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.91
Rot. Bonds4

About N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide

N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide (PubChem CID 823882) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
PubChem CID823882
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(2)22-16-10-6-14(7-11-16)17(21)20-18(23)19-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H2,19,20,21,23)
InChIKeyOGWTWXJUPACLOF-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

4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
N-[[4-[(2R)-butan-2-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 1048185
N-[(4-butoxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952309
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 7325857
4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4950008
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 17340536
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 1209279
N-[(2,6-dimethylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823867
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952231
N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide
CID 909226
3-methyl-N-[4-[[(4-propan-2-yloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 4952353

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide (CID 823882) is N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide is Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The InChIKey is OGWTWXJUPACLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(2)22-16-10-6-14(7-11-16)17(21)20-18(23)19-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H2,19,20,21,23).
What are the key properties of N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
N-[(4-methylphenyl)carbamothioyl]-4-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-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 823882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).