3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide

C12H20N2O6S — CID 156532724

IUPAC3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide
SMILESCOCCS(=O)(=O)CCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C12H20N2O6S/c1-20-7-9-21(18,19)8-5-13-10(15)4-6-14-11(16)2-3-12(14)17/h2-3,11,16H,4-9H2,1H3,(H,13,15)
InChIKeyUOGCWNBILFKJNX-UHFFFAOYSA-N
MW320.37 g/mol
LogP-1.73
Rot. Bonds9

About 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide

3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide (PubChem CID 156532724) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide
PubChem CID156532724
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide
SMILESCOCCS(=O)(=O)CCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C12H20N2O6S/c1-20-7-9-21(18,19)8-5-13-10(15)4-6-14-11(16)2-3-12(14)17/h2-3,11,16H,4-9H2,1H3,(H,13,15)
InChIKeyUOGCWNBILFKJNX-UHFFFAOYSA-N
XLogP-1.73
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 156791281
6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide
CID 23526545
6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid
CID 139417671
4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 130219582
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
CID 158981138
2-hydroxy-1-propyl-2H-pyrrol-5-one
CID 135175817
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide;methane
CID 172871711
1-[2-(4,4-dimethyl-3-oxopentoxy)ethyl]-2-hydroxy-2H-pyrrol-5-one
CID 167176025
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide?
The IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide (CID 156532724) is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide?
The canonical SMILES for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide is COCCS(=O)(=O)CCNC(=O)CCN1C(=O)C=CC1O.
What is the InChIKey of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide?
The InChIKey is UOGCWNBILFKJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S/c1-20-7-9-21(18,19)8-5-13-10(15)4-6-14-11(16)2-3-12(14)17/h2-3,11,16H,4-9H2,1H3,(H,13,15).
What are the key properties of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide?
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide has a molecular weight of 320.37 g/mol, XLogP of -1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide is sourced from PubChem (CID 156532724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).