N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide

C16H24N2O4S — CID 131945401

IUPACN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide
SMILESCCN1CC(CN(C)S(=O)(=O)CCOc2ccccc2)CC1=O
InChIInChI=1S/C16H24N2O4S/c1-3-18-13-14(11-16(18)19)12-17(2)23(20,21)10-9-22-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeySSWXAUZFDPUWES-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.20
Rot. Bonds8

About N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide

N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide (PubChem CID 131945401) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide
PubChem CID131945401
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide
SMILESCCN1CC(CN(C)S(=O)(=O)CCOc2ccccc2)CC1=O
InChIInChI=1S/C16H24N2O4S/c1-3-18-13-14(11-16(18)19)12-17(2)23(20,21)10-9-22-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeySSWXAUZFDPUWES-UHFFFAOYSA-N
XLogP1.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide
CID 131933501
1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 131948144
N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 131899676
(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 97207107
N,2,6-trimethyl-N-(2-phenoxyethyl)morpholine-4-sulfonamide
CID 51330696
1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 118777100
[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680933
1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
CID 97453287
5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 134698275
phenyl 1-ethylaziridine-2-sulfonate
CID 15914554
3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159649
1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one
CID 131897142

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide?
The IUPAC name of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide (CID 131945401) is N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide is CCN1CC(CN(C)S(=O)(=O)CCOc2ccccc2)CC1=O.
What is the InChIKey of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide?
The InChIKey is SSWXAUZFDPUWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-18-13-14(11-16(18)19)12-17(2)23(20,21)10-9-22-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide?
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide is sourced from PubChem (CID 131945401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).