4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide

C19H22N2O3S — CID 17074352

IUPAC4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccccc2OCC(C)C)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)12-24-17-7-5-4-6-16(17)20-19(25)21-18(22)14-8-10-15(23-3)11-9-14/h4-11,13H,12H2,1-3H3,(H2,20,21,22,25)
InChIKeyWBVVUEIISVLHIF-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.86
Rot. Bonds6

About 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide

4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide (PubChem CID 17074352) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
PubChem CID17074352
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccccc2OCC(C)C)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)12-24-17-7-5-4-6-16(17)20-19(25)21-18(22)14-8-10-15(23-3)11-9-14/h4-11,13H,12H2,1-3H3,(H2,20,21,22,25)
InChIKeyWBVVUEIISVLHIF-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17074414
(E)-3-(4-methoxyphenyl)-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17074370
N-methyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17354128
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide
CID 17074345
3-bromo-4-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074107
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17074348
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
N,N-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 4937584
N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937480

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide (CID 17074352) is 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide is COc1ccc(C(=O)NC(=S)Nc2ccccc2OCC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
The InChIKey is WBVVUEIISVLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(2)12-24-17-7-5-4-6-16(17)20-19(25)21-18(22)14-8-10-15(23-3)11-9-14/h4-11,13H,12H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).