(3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C22H24FN3O5S — CID 30797079

IUPAC(3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H24FN3O5S/c23-18-6-2-3-7-19(18)26-15-17(13-21(26)27)22(28)24-14-16-5-1-4-8-20(16)32(29,30)25-9-11-31-12-10-25/h1-8,17H,9-15H2,(H,24,28)/t17-/m0/s1
InChIKeyHOUFTBSXDVGIGR-KRWDZBQOSA-N
MW461.52 g/mol
LogP1.52
Rot. Bonds6

About (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 30797079) has the molecular formula C22H24FN3O5S and a molecular weight of 461.52 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID30797079
Molecular FormulaC22H24FN3O5S
Molecular Weight461.52 g/mol
Exact Mass461.14
IUPAC Name(3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H24FN3O5S/c23-18-6-2-3-7-19(18)26-15-17(13-21(26)27)22(28)24-14-16-5-1-4-8-20(16)32(29,30)25-9-11-31-12-10-25/h1-8,17H,9-15H2,(H,24,28)/t17-/m0/s1
InChIKeyHOUFTBSXDVGIGR-KRWDZBQOSA-N
XLogP1.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24624597
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30933533
1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46485730
N-[(2-fluorophenyl)methyl]-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189868
1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46684406
tert-butyl N-[2-[[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 39351871
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56517399
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 51159436
1-(2-morpholin-4-ylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113189989

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 30797079) is (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOUFTBSXDVGIGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24FN3O5S/c23-18-6-2-3-7-19(18)26-15-17(13-21(26)27)22(28)24-14-16-5-1-4-8-20(16)32(29,30)25-9-11-31-12-10-25/h1-8,17H,9-15H2,(H,24,28)/t17-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 30797079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).