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

C24H23N3O4S — CID 4954528

IUPACN-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-17(28)25-18-11-13-19(14-12-18)26-24(32)27-23(29)21-9-5-6-10-22(21)31-16-15-30-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,25,28)(H2,26,27,29,32)
InChIKeyBBKVINRHDBLZHE-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.23
Rot. Bonds8

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

N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 4954528) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID4954528
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-17(28)25-18-11-13-19(14-12-18)26-24(32)27-23(29)21-9-5-6-10-22(21)31-16-15-30-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,25,28)(H2,26,27,29,32)
InChIKeyBBKVINRHDBLZHE-UHFFFAOYSA-N
XLogP4.23
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-iodophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954562
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954628
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
N-[(4-butoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947260
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
N-[(4-heptoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4951666
N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355885
N-[(4-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355891
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746
N-[(4-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355897
N-[(4-hexoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948875

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide (CID 4954528) is N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide is CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is BBKVINRHDBLZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-17(28)25-18-11-13-19(14-12-18)26-24(32)27-23(29)21-9-5-6-10-22(21)31-16-15-30-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,25,28)(H2,26,27,29,32).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4954528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).