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

C24H24N2O2S — CID 17177765

IUPACN-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-17(2)19-12-14-20(15-13-19)23(27)26-24(29)25-21-10-6-7-11-22(21)28-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H2,25,26,27,29)
InChIKeyMOOYCQPOSAFCLT-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.52
Rot. Bonds6

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

N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide (PubChem CID 17177765) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide
PubChem CID17177765
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-17(2)19-12-14-20(15-13-19)23(27)26-24(29)25-21-10-6-7-11-22(21)28-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H2,25,26,27,29)
InChIKeyMOOYCQPOSAFCLT-UHFFFAOYSA-N
XLogP5.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.52
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-butan-2-yloxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17141656
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177776
N-[(2-phenylmethoxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 87923225
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17074414
4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074352
3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17134770
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17131623
N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22775730
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177779

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide (CID 17177765) is N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide?
The InChIKey is MOOYCQPOSAFCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17(2)19-12-14-20(15-13-19)23(27)26-24(29)25-21-10-6-7-11-22(21)28-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H2,25,26,27,29).
What are the key properties of N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide?
N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide has a molecular weight of 404.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 17177765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).