N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide

C28H23N3O3S — CID 17113536

IUPACN-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
SMILESO=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H23N3O3S/c32-26(21-10-5-2-6-11-21)29-23-12-7-13-24(18-23)30-28(35)31-27(33)22-14-16-25(17-15-22)34-19-20-8-3-1-4-9-20/h1-18H,19H2,(H,29,32)(H2,30,31,33,35)
InChIKeyGXDQRNNHRAOASN-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.64
Rot. Bonds7

About N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide

N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide (PubChem CID 17113536) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
PubChem CID17113536
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC NameN-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
SMILESO=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H23N3O3S/c32-26(21-10-5-2-6-11-21)29-23-12-7-13-24(18-23)30-28(35)31-27(33)22-14-16-25(17-15-22)34-19-20-8-3-1-4-9-20/h1-18H,19H2,(H,29,32)(H2,30,31,33,35)
InChIKeyGXDQRNNHRAOASN-UHFFFAOYSA-N
XLogP5.64
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 19631523
4-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4947562
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
N-[(3-benzamidophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17235202
3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779899
methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779889
3-ethoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4957757
N-(naphthalen-2-ylcarbamothioyl)-3-phenylmethoxybenzamide
CID 22775965

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide (CID 17113536) is N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide is O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide?
The InChIKey is GXDQRNNHRAOASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c32-26(21-10-5-2-6-11-21)29-23-12-7-13-24(18-23)30-28(35)31-27(33)22-14-16-25(17-15-22)34-19-20-8-3-1-4-9-20/h1-18H,19H2,(H,29,32)(H2,30,31,33,35).
What are the key properties of N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide?
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide has a molecular weight of 481.58 g/mol, XLogP of 5.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 17113536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).