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

C24H24N2O3S — CID 17045921

IUPACN-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(2)29-22-11-7-6-10-21(22)23(27)26-24(30)25-19-12-14-20(15-13-19)28-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H2,25,26,27,30)
InChIKeyLDENZWKBFNGTFG-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.18
Rot. Bonds7

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

N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide (PubChem CID 17045921) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
PubChem CID17045921
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(2)29-22-11-7-6-10-21(22)23(27)26-24(30)25-19-12-14-20(15-13-19)28-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H2,25,26,27,30)
InChIKeyLDENZWKBFNGTFG-UHFFFAOYSA-N
XLogP5.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.18
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

5-bromo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17086253
2-butoxy-N-[(4-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17340036
2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086217
2-(2-methylpropoxy)-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067134
N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17046005
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17079945
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17223224
4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 19631523
2,4-dichloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 2396916
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188229

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide (CID 17045921) is N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The InChIKey is LDENZWKBFNGTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17(2)29-22-11-7-6-10-21(22)23(27)26-24(30)25-19-12-14-20(15-13-19)28-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H2,25,26,27,30).
What are the key properties of N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide has a molecular weight of 420.53 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17045921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).