ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide

C14H20N2O6S — CID 142524494

IUPACethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide
SMILESCC.COc1ccccc1S(=O)(=O)NC(=O)C1C(=O)NCC1O
InChIInChI=1S/C12H14N2O6S.C2H6/c1-20-8-4-2-3-5-9(8)21(18,19)14-12(17)10-7(15)6-13-11(10)16;1-2/h2-5,7,10,15H,6H2,1H3,(H,13,16)(H,14,17);1-2H3
InChIKeyNINNCAHSJGUCRU-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.37
Rot. Bonds4

About ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide

ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 142524494) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Nameethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide
PubChem CID142524494
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Nameethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide
SMILESCC.COc1ccccc1S(=O)(=O)NC(=O)C1C(=O)NCC1O
InChIInChI=1S/C12H14N2O6S.C2H6/c1-20-8-4-2-3-5-9(8)21(18,19)14-12(17)10-7(15)6-13-11(10)16;1-2/h2-5,7,10,15H,6H2,1H3,(H,13,16)(H,14,17);1-2H3
InChIKeyNINNCAHSJGUCRU-UHFFFAOYSA-N
XLogP-0.37
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide (CID 142524494) is ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide is CC.COc1ccccc1S(=O)(=O)NC(=O)C1C(=O)NCC1O.
What is the InChIKey of ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is NINNCAHSJGUCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S.C2H6/c1-20-8-4-2-3-5-9(8)21(18,19)14-12(17)10-7(15)6-13-11(10)16;1-2/h2-5,7,10,15H,6H2,1H3,(H,13,16)(H,14,17);1-2H3.
What are the key properties of ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide?
ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142524494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).