1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate

C19H21NO3S — CID 86825391

IUPAC1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate
SMILESCC(=O)Nc1cccc(C(C)OC(=O)C(C)Sc2ccccc2)c1
InChIInChI=1S/C19H21NO3S/c1-13(16-8-7-9-17(12-16)20-15(3)21)23-19(22)14(2)24-18-10-5-4-6-11-18/h4-14H,1-3H3,(H,20,21)
InChIKeyCYLLVYBJOLGRAN-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.43
Rot. Bonds6

About 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate

1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate (PubChem CID 86825391) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate.

Molecular Properties

Compound Name1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate
PubChem CID86825391
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate
SMILESCC(=O)Nc1cccc(C(C)OC(=O)C(C)Sc2ccccc2)c1
InChIInChI=1S/C19H21NO3S/c1-13(16-8-7-9-17(12-16)20-15(3)21)23-19(22)14(2)24-18-10-5-4-6-11-18/h4-14H,1-3H3,(H,20,21)
InChIKeyCYLLVYBJOLGRAN-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-phenylsulfanylpropanoate
CID 8979766
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 7806555
1-(3-acetamidophenyl)ethyl 8-oxononanoate
CID 75456297
[2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806663
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] (2R)-2-phenylsulfanylpropanoate
CID 8979866
[2-(3-nitroanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806746
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate
CID 47076060
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate?
The IUPAC name of 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate (CID 86825391) is 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate.
What is the SMILES notation for 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate?
The canonical SMILES for 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate is CC(=O)Nc1cccc(C(C)OC(=O)C(C)Sc2ccccc2)c1.
What is the InChIKey of 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate?
The InChIKey is CYLLVYBJOLGRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13(16-8-7-9-17(12-16)20-15(3)21)23-19(22)14(2)24-18-10-5-4-6-11-18/h4-14H,1-3H3,(H,20,21).
What are the key properties of 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate?
1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate has a molecular weight of 343.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate is sourced from PubChem (CID 86825391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).