N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide

C24H23N3O3S — CID 4956797

IUPACN-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O3S/c1-17(28)25-20-9-11-21(12-10-20)26-24(31)27-23(29)19-7-13-22(14-8-19)30-16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyFTJAQWOPPQZDOF-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.39
Rot. Bonds7

About N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide

N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide (PubChem CID 4956797) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
PubChem CID4956797
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O3S/c1-17(28)25-20-9-11-21(12-10-20)26-24(31)27-23(29)19-7-13-22(14-8-19)30-16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyFTJAQWOPPQZDOF-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
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

N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide
CID 4956814
4-fluoro-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067103
4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 4956828
4-heptoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067139
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956992
3,4,5-trimethoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067082
N-cyclohexyl-4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 28587936
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17130341
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177779
N-phenyl-2-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 4956837
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956802
4-(2-phenylethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188641

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide (CID 4956797) is N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide is CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide?
The InChIKey is FTJAQWOPPQZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-17(28)25-20-9-11-21(12-10-20)26-24(31)27-23(29)19-7-13-22(14-8-19)30-16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,25,28)(H2,26,27,29,31).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide?
N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide has a molecular weight of 433.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 4956797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).