(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C15H21N3O5S — CID 9365209

IUPAC(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C15H21N3O5S/c1-10(9-23-2)18-8-11(7-14(18)19)15(20)17-12-3-5-13(6-4-12)24(16,21)22/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H2,16,21,22)/t10-,11+/m1/s1
InChIKeyRUIREAUTXPXEKR-MNOVXSKESA-N
MW355.42 g/mol
LogP0.16
Rot. Bonds6

About (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 9365209) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID9365209
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C15H21N3O5S/c1-10(9-23-2)18-8-11(7-14(18)19)15(20)17-12-3-5-13(6-4-12)24(16,21)22/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H2,16,21,22)/t10-,11+/m1/s1
InChIKeyRUIREAUTXPXEKR-MNOVXSKESA-N
XLogP0.16
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373536
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9365277
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449924
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 9365166
(3R)-N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373430
(3S)-N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373432
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 9373685
dimethyl 5-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 9364912
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
(3S)-N-(3-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41066163

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 9365209) is (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O.
What is the InChIKey of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is RUIREAUTXPXEKR-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-10(9-23-2)18-8-11(7-14(18)19)15(20)17-12-3-5-13(6-4-12)24(16,21)22/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H2,16,21,22)/t10-,11+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9365209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).