N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide

C15H20N2O2S — CID 138044856

IUPACN-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESCSc1ccc(C)c(NC(=O)CCC2CCC(=O)N2)c1
InChIInChI=1S/C15H20N2O2S/c1-10-3-6-12(20-2)9-13(10)17-15(19)8-5-11-4-7-14(18)16-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWADLFMPHWZKSGB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.71
Rot. Bonds5

About N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide

N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide (PubChem CID 138044856) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide
PubChem CID138044856
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESCSc1ccc(C)c(NC(=O)CCC2CCC(=O)N2)c1
InChIInChI=1S/C15H20N2O2S/c1-10-3-6-12(20-2)9-13(10)17-15(19)8-5-11-4-7-14(18)16-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWADLFMPHWZKSGB-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(5-oxopyrrolidin-2-yl)methylsulfanyl]benzoic acid
CID 107529025
3-[(2R)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
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N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
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(2S)-2-[3-(5-oxopyrrolidin-2-yl)propanoylamino]-3-phenylpropanoic acid
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N-(2-ethyl-5-methylsulfanylphenyl)acetamide
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N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
CID 167822050
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
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N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
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N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide?
The IUPAC name of N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide (CID 138044856) is N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide?
The canonical SMILES for N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide is CSc1ccc(C)c(NC(=O)CCC2CCC(=O)N2)c1.
What is the InChIKey of N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide?
The InChIKey is WADLFMPHWZKSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-3-6-12(20-2)9-13(10)17-15(19)8-5-11-4-7-14(18)16-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide?
N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide has a molecular weight of 292.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide is sourced from PubChem (CID 138044856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).