N-(3-acetylphenyl)-3-phenylsulfanylpropanamide

C17H17NO2S — CID 1322631

IUPACN-(3-acetylphenyl)-3-phenylsulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCSc2ccccc2)c1
InChIInChI=1S/C17H17NO2S/c1-13(19)14-6-5-7-15(12-14)18-17(20)10-11-21-16-8-3-2-4-9-16/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyMNWFPVPCQBDZQB-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.01
Rot. Bonds6

About N-(3-acetylphenyl)-3-phenylsulfanylpropanamide

N-(3-acetylphenyl)-3-phenylsulfanylpropanamide (PubChem CID 1322631) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-phenylsulfanylpropanamide
PubChem CID1322631
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-(3-acetylphenyl)-3-phenylsulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCSc2ccccc2)c1
InChIInChI=1S/C17H17NO2S/c1-13(19)14-6-5-7-15(12-14)18-17(20)10-11-21-16-8-3-2-4-9-16/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyMNWFPVPCQBDZQB-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
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[2-(3-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
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4-(3-acetylanilino)-4-oxobutanoate
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3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
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3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
N-(3-acetylphenyl)propanamide
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N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
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N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-phenylsulfanylpropanamide (CID 1322631) is N-(3-acetylphenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-phenylsulfanylpropanamide is CC(=O)c1cccc(NC(=O)CCSc2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-phenylsulfanylpropanamide?
The InChIKey is MNWFPVPCQBDZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13(19)14-6-5-7-15(12-14)18-17(20)10-11-21-16-8-3-2-4-9-16/h2-9,12H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-3-phenylsulfanylpropanamide?
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 1322631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).