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

C15H22N2O4S — CID 2890983

IUPACN-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCOc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(15(18)16-10-4-5-11-16)17(22(3,19)20)13-6-8-14(21-2)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyYRZHSNNBXOZQRF-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.47
Rot. Bonds5

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

N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 2890983) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
PubChem CID2890983
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCOc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(15(18)16-10-4-5-11-16)17(22(3,19)20)13-6-8-14(21-2)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyYRZHSNNBXOZQRF-UHFFFAOYSA-N
XLogP1.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (CID 2890983) is N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is COc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is YRZHSNNBXOZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(15(18)16-10-4-5-11-16)17(22(3,19)20)13-6-8-14(21-2)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 2890983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).