2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C16H22N2O2S — CID 134026679

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1ccc(SCC(=O)NCC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-12-5-6-14(13(2)9-12)21-11-15(19)17-10-16(20)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyPZDYTMKPDNUYHP-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.13
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 134026679) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID134026679
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1ccc(SCC(=O)NCC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-12-5-6-14(13(2)9-12)21-11-15(19)17-10-16(20)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyPZDYTMKPDNUYHP-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide 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

2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]-N-propylacetamide
CID 8786941
2-(4-bromo-2-methylphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 60634872
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945499
2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 55541373
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367
(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 8809563
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-(2-amino-5-methylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 79142739
4-[[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541962

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 134026679) is 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is Cc1ccc(SCC(=O)NCC(=O)N2CCCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is PZDYTMKPDNUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-5-6-14(13(2)9-12)21-11-15(19)17-10-16(20)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 306.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 134026679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).