2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide

C16H22N2O5S — CID 22444783

IUPAC2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccccc1)C(=O)NC1CCOC1=O
InChIInChI=1S/C16H22N2O5S/c1-11(2)10-14(15(19)17-13-8-9-23-16(13)20)18-24(21,22)12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,17,19)
InChIKeyWMMDPQDHQMAGCC-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.81
Rot. Bonds7

About 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide

2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide (PubChem CID 22444783) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
PubChem CID22444783
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccccc1)C(=O)NC1CCOC1=O
InChIInChI=1S/C16H22N2O5S/c1-11(2)10-14(15(19)17-13-8-9-23-16(13)20)18-24(21,22)12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,17,19)
InChIKeyWMMDPQDHQMAGCC-UHFFFAOYSA-N
XLogP0.81
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide?
The IUPAC name of 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide (CID 22444783) is 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide?
The canonical SMILES for 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide is CC(C)CC(NS(=O)(=O)c1ccccc1)C(=O)NC1CCOC1=O.
What is the InChIKey of 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide?
The InChIKey is WMMDPQDHQMAGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11(2)10-14(15(19)17-13-8-9-23-16(13)20)18-24(21,22)12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide?
2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide has a molecular weight of 354.43 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide is sourced from PubChem (CID 22444783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).