N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C14H21N3O5S — CID 7992617

IUPACN-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCOCCNC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C14H21N3O5S/c1-22-9-6-15-13(18)11-16-10-12(4-5-14(16)19)23(20,21)17-7-2-3-8-17/h4-5,10H,2-3,6-9,11H2,1H3,(H,15,18)
InChIKeyDGCNTPZBKPLOBE-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.60
Rot. Bonds7

About N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 7992617) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID7992617
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCOCCNC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C14H21N3O5S/c1-22-9-6-15-13(18)11-16-10-12(4-5-14(16)19)23(20,21)17-7-2-3-8-17/h4-5,10H,2-3,6-9,11H2,1H3,(H,15,18)
InChIKeyDGCNTPZBKPLOBE-UHFFFAOYSA-N
XLogP-0.60
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 7992617) is N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is COCCNC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is DGCNTPZBKPLOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-22-9-6-15-13(18)11-16-10-12(4-5-14(16)19)23(20,21)17-7-2-3-8-17/h4-5,10H,2-3,6-9,11H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of -0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 7992617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).