3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

C24H23N3O3S — CID 22779899

IUPAC3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H23N3O3S/c1-2-22(28)25-19-11-7-12-20(15-19)26-24(31)27-23(29)18-10-6-13-21(14-18)30-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyDCGWDVAXYXQILH-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.74
Rot. Bonds7

About 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide (PubChem CID 22779899) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
PubChem CID22779899
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H23N3O3S/c1-2-22(28)25-19-11-7-12-20(15-19)26-24(31)27-23(29)18-10-6-13-21(14-18)30-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyDCGWDVAXYXQILH-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 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693
3-ethoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4957757
N-(naphthalen-2-ylcarbamothioyl)-3-phenylmethoxybenzamide
CID 22775965
methyl 4-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777368
4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779889
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-3-phenylmethoxybenzamide
CID 17316029
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
N-[[4-(propanoylamino)phenyl]carbamothioyl]-3-propoxybenzamide
CID 2184986
N-[3-[(3-phenylmethoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17314567
4-(2-phenylethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188641
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17235910
methyl 3-[[3-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate
CID 17188675

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide?
The IUPAC name of 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide (CID 22779899) is 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide is CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide?
The InChIKey is DCGWDVAXYXQILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-2-22(28)25-19-11-7-12-20(15-19)26-24(31)27-23(29)18-10-6-13-21(14-18)30-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,28)(H2,26,27,29,31).
What are the key properties of 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide?
3-phenylmethoxy-N-[[3-(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 3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 22779899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).