3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide

C25H32N2O5S — CID 55901152

IUPAC3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
SMILESCCC(NC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C25H32N2O5S/c1-3-22(26-24(28)14-17-33(30,31)20-12-10-19(2)11-13-20)21-8-4-5-9-23(21)32-18-25(29)27-15-6-7-16-27/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,26,28)
InChIKeyUOHXUJAFMLXYEJ-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.43
Rot. Bonds10

About 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide

3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide (PubChem CID 55901152) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
PubChem CID55901152
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
SMILESCCC(NC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C25H32N2O5S/c1-3-22(26-24(28)14-17-33(30,31)20-12-10-19(2)11-13-20)21-8-4-5-9-23(21)32-18-25(29)27-15-6-7-16-27/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,26,28)
InChIKeyUOHXUJAFMLXYEJ-UHFFFAOYSA-N
XLogP3.43
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
3-(4-fluorophenyl)sulfanyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55902042
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
3-methyl-4-nitro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902300
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
CID 119288275
3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901660
2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide
CID 55958988
4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902810
N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide (CID 55901152) is 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide is CCC(NC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
The InChIKey is UOHXUJAFMLXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-3-22(26-24(28)14-17-33(30,31)20-12-10-19(2)11-13-20)21-8-4-5-9-23(21)32-18-25(29)27-15-6-7-16-27/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,26,28).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide has a molecular weight of 472.61 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide is sourced from PubChem (CID 55901152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).