1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide

C15H23N3O4S — CID 168716563

IUPAC1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc(C(CN2CC(S(N)(=O)=O)CC2=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-17(2)14(11-4-6-12(22-3)7-5-11)10-18-9-13(8-15(18)19)23(16,20)21/h4-7,13-14H,8-10H2,1-3H3,(H2,16,20,21)
InChIKeyNDIIHAOOFMRGIB-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.19
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716563) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716563
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc(C(CN2CC(S(N)(=O)=O)CC2=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-17(2)14(11-4-6-12(22-3)7-5-11)10-18-9-13(8-15(18)19)23(16,20)21/h4-7,13-14H,8-10H2,1-3H3,(H2,16,20,21)
InChIKeyNDIIHAOOFMRGIB-UHFFFAOYSA-N
XLogP0.19
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 168506648
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716577
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
N,N-dimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetamide
CID 168717165
5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidine-3-sulfonamide
CID 168717350
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
(8aR)-2-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 100676557
1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717057

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide (CID 168716563) is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide is COc1ccc(C(CN2CC(S(N)(=O)=O)CC2=O)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NDIIHAOOFMRGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-17(2)14(11-4-6-12(22-3)7-5-11)10-18-9-13(8-15(18)19)23(16,20)21/h4-7,13-14H,8-10H2,1-3H3,(H2,16,20,21).
What are the key properties of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).