N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide

C17H17ClN2O2S — CID 17460927

IUPACN-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O2S/c1-11(23-14-6-4-3-5-7-14)17(22)20-13-8-9-16(15(18)10-13)19-12(2)21/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyURCQOJMKZVYKRP-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.42
Rot. Bonds5

About N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide

N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide (PubChem CID 17460927) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
PubChem CID17460927
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O2S/c1-11(23-14-6-4-3-5-7-14)17(22)20-13-8-9-16(15(18)10-13)19-12(2)21/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyURCQOJMKZVYKRP-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 46542331
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide (CID 17460927) is N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)C(C)Sc2ccccc2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is URCQOJMKZVYKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-11(23-14-6-4-3-5-7-14)17(22)20-13-8-9-16(15(18)10-13)19-12(2)21/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide?
N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 348.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 17460927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).