N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide

C19H20N2O2S — CID 60551840

IUPACN-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)C(=O)N2CCCC2c2ccccc2)c1
InChIInChI=1S/C19H20N2O2S/c1-24-16-10-5-9-15(13-16)20-18(22)19(23)21-12-6-11-17(21)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)
InChIKeyDBURAJVAPPXUNB-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.71
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide

N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide (PubChem CID 60551840) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
PubChem CID60551840
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)C(=O)N2CCCC2c2ccccc2)c1
InChIInChI=1S/C19H20N2O2S/c1-24-16-10-5-9-15(13-16)20-18(22)19(23)21-12-6-11-17(21)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)
InChIKeyDBURAJVAPPXUNB-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60552023
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
N-(5-chloro-2-methylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551965
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108505619
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
CID 18588616
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108503966

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide (CID 60551840) is N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide is CSc1cccc(NC(=O)C(=O)N2CCCC2c2ccccc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is DBURAJVAPPXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-24-16-10-5-9-15(13-16)20-18(22)19(23)21-12-6-11-17(21)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22).
What are the key properties of N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 60551840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).