N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

C16H24N2O4S — CID 2914790

IUPACN-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCCOc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-22-15-9-7-14(8-10-15)18(23(3,20)21)13(2)16(19)17-11-5-6-12-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyQPZQRWVOKHGHSY-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.86
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 2914790) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
PubChem CID2914790
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCCOc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-22-15-9-7-14(8-10-15)18(23(3,20)21)13(2)16(19)17-11-5-6-12-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyQPZQRWVOKHGHSY-UHFFFAOYSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (CID 2914790) is N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is CCOc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is QPZQRWVOKHGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-22-15-9-7-14(8-10-15)18(23(3,20)21)13(2)16(19)17-11-5-6-12-17/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 2914790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).