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

C17H25N3O5S — CID 9365277

IUPAC(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C17H25N3O5S/c1-12(11-25-2)20-10-14(9-16(20)21)17(22)19-8-7-13-3-5-15(6-4-13)26(18,23)24/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H2,18,23,24)/t12-,14+/m1/s1
InChIKeyKFMVZHCESLQCOW-OCCSQVGLSA-N
MW383.47 g/mol
LogP-0.12
Rot. Bonds8

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

(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 9365277) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID9365277
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C17H25N3O5S/c1-12(11-25-2)20-10-14(9-16(20)21)17(22)19-8-7-13-3-5-15(6-4-13)26(18,23)24/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H2,18,23,24)/t12-,14+/m1/s1
InChIKeyKFMVZHCESLQCOW-OCCSQVGLSA-N
XLogP-0.12
TPSA118.80 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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9365209
1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182530
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
5-oxo-1-(4-propan-2-ylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 131894541
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9365066
1-(3-methoxyphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 42652015
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9351066
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 9365277) is (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O.
What is the InChIKey of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is KFMVZHCESLQCOW-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-12(11-25-2)20-10-14(9-16(20)21)17(22)19-8-7-13-3-5-15(6-4-13)26(18,23)24/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H2,18,23,24)/t12-,14+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -0.12, 8 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-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9365277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).