(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C17H25N3O5S — CID 9373536

IUPAC(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)cc1
InChIInChI=1S/C17H25N3O5S/c1-4-18-26(23,24)15-7-5-14(6-8-15)19-17(22)13-9-16(21)20(10-13)12(2)11-25-3/h5-8,12-13,18H,4,9-11H2,1-3H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyDVRRJXYOGDMOPD-STQMWFEESA-N
MW383.47 g/mol
LogP0.81
Rot. Bonds8

About (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9373536) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9373536
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)cc1
InChIInChI=1S/C17H25N3O5S/c1-4-18-26(23,24)15-7-5-14(6-8-15)19-17(22)13-9-16(21)20(10-13)12(2)11-25-3/h5-8,12-13,18H,4,9-11H2,1-3H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyDVRRJXYOGDMOPD-STQMWFEESA-N
XLogP0.81
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9365209
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(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
1-(3,4-dimethylphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497658

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9373536) is (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)COC)C2)cc1.
What is the InChIKey of (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DVRRJXYOGDMOPD-STQMWFEESA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-4-18-26(23,24)15-7-5-14(6-8-15)19-17(22)13-9-16(21)20(10-13)12(2)11-25-3/h5-8,12-13,18H,4,9-11H2,1-3H3,(H,19,22)/t12-,13-/m0/s1.
What are the key properties of (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9373536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).