2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C13H18N2O4S — CID 777644

IUPAC2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-10-13(16)14-11-4-6-12(7-5-11)20(17,18)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyFEYQNBCGUGAEIM-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.06
Rot. Bonds5

About 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 777644) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID777644
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-10-13(16)14-11-4-6-12(7-5-11)20(17,18)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyFEYQNBCGUGAEIM-UHFFFAOYSA-N
XLogP1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 777644) is 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is COCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FEYQNBCGUGAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-10-13(16)14-11-4-6-12(7-5-11)20(17,18)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,14,16).
What are the key properties of 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 298.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 777644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).