4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide

C24H23N3O3S — CID 22779889

IUPAC4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O3S/c1-2-22(28)25-19-10-12-20(13-11-19)26-24(31)27-23(29)18-8-14-21(15-9-18)30-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyKNXWCJNZSNFVQI-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.74
Rot. Bonds7

About 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide

4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (PubChem CID 22779889) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
PubChem CID22779889
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O3S/c1-2-22(28)25-19-10-12-20(13-11-19)26-24(31)27-23(29)18-8-14-21(15-9-18)30-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyKNXWCJNZSNFVQI-UHFFFAOYSA-N
XLogP4.74
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.74
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

methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 19631523
4-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4947562
N-[[4-(diethylamino)phenyl]carbamothioyl]-4-phenylmethoxybenzamide
CID 22779945
3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779899
4-(2-phenylethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188641
3-ethoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4957757
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 1314274
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956797

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (CID 22779889) is 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The InChIKey is KNXWCJNZSNFVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-2-22(28)25-19-10-12-20(13-11-19)26-24(31)27-23(29)18-8-14-21(15-9-18)30-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,28)(H2,26,27,29,31).
What are the key properties of 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 22779889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).