(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide

C19H21N3O5S — CID 9412970

IUPAC(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1=O
InChIInChI=1S/C19H21N3O5S/c1-2-27-17-9-4-3-8-16(17)22-12-13(10-18(22)23)19(24)21-14-6-5-7-15(11-14)28(20,25)26/h3-9,11,13H,2,10,12H2,1H3,(H,21,24)(H2,20,25,26)/t13-/m0/s1
InChIKeyLNWHTUXABPUWBJ-ZDUSSCGKSA-N
MW403.46 g/mol
LogP1.72
Rot. Bonds6

About (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide

(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 9412970) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID9412970
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1=O
InChIInChI=1S/C19H21N3O5S/c1-2-27-17-9-4-3-8-16(17)22-12-13(10-18(22)23)19(24)21-14-6-5-7-15(11-14)28(20,25)26/h3-9,11,13H,2,10,12H2,1H3,(H,21,24)(H2,20,25,26)/t13-/m0/s1
InChIKeyLNWHTUXABPUWBJ-ZDUSSCGKSA-N
XLogP1.72
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412968
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41094134
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55881506
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55711048
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
1-(2-ethoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55722592
1-(2-ethoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86928018

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 9412970) is (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1=O.
What is the InChIKey of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LNWHTUXABPUWBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-2-27-17-9-4-3-8-16(17)22-12-13(10-18(22)23)19(24)21-14-6-5-7-15(11-14)28(20,25)26/h3-9,11,13H,2,10,12H2,1H3,(H,21,24)(H2,20,25,26)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9412970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).