4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide

C24H19N3O2S — CID 3896580

IUPAC4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H19N3O2S/c28-23(19-11-13-20(14-12-19)29-16-17-6-2-1-3-7-17)27-24(30)26-21-10-4-8-18-9-5-15-25-22(18)21/h1-15H,16H2,(H2,26,27,28,30)
InChIKeySQWDCDXLBFGOHO-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.94
Rot. Bonds5

About 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide

4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide (PubChem CID 3896580) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
PubChem CID3896580
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H19N3O2S/c28-23(19-11-13-20(14-12-19)29-16-17-6-2-1-3-7-17)27-24(30)26-21-10-4-8-18-9-5-15-25-22(18)21/h1-15H,16H2,(H2,26,27,28,30)
InChIKeySQWDCDXLBFGOHO-UHFFFAOYSA-N
XLogP4.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.94
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-(naphthalen-1-ylcarbamothioyl)-4-phenylmethoxybenzamide
CID 22775968
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
4-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3413921
4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide
CID 17099472
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
2-methyl-3-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 3905545
N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22775730
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 19631523
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
N-[(2-methyl-3-nitrophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22777618
4-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4947562

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
The IUPAC name of 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide (CID 3896580) is 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
The canonical SMILES for 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2cccnc12)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
The InChIKey is SQWDCDXLBFGOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-23(19-11-13-20(14-12-19)29-16-17-6-2-1-3-7-17)27-24(30)26-21-10-4-8-18-9-5-15-25-22(18)21/h1-15H,16H2,(H2,26,27,28,30).
What are the key properties of 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide is sourced from PubChem (CID 3896580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).