(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide

C15H19N3O5S — CID 8008010

IUPAC(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)N1
InChIInChI=1S/C15H19N3O5S/c19-14-5-4-13(17-14)15(20)16-11-2-1-3-12(10-11)24(21,22)18-6-8-23-9-7-18/h1-3,10,13H,4-9H2,(H,16,20)(H,17,19)/t13-/m0/s1
InChIKeyLBPVLQAEAFELGO-ZDUSSCGKSA-N
MW353.40 g/mol
LogP-0.08
Rot. Bonds4

About (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 8008010) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID8008010
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)N1
InChIInChI=1S/C15H19N3O5S/c19-14-5-4-13(17-14)15(20)16-11-2-1-3-12(10-11)24(21,22)18-6-8-23-9-7-18/h1-3,10,13H,4-9H2,(H,16,20)(H,17,19)/t13-/m0/s1
InChIKeyLBPVLQAEAFELGO-ZDUSSCGKSA-N
XLogP-0.08
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110793299
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 7925606
N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26249655
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 56556817
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25437860
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
CID 17452404
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 8008010) is (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)N1.
What is the InChIKey of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LBPVLQAEAFELGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O5S/c19-14-5-4-13(17-14)15(20)16-11-2-1-3-12(10-11)24(21,22)18-6-8-23-9-7-18/h1-3,10,13H,4-9H2,(H,16,20)(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 8008010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).