(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H29FN4O4S — CID 40775758

IUPAC(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29FN4O4S/c1-18-2-6-22(7-3-18)29-17-19(16-23(29)30)24(31)26-10-15-34(32,33)28-13-11-27(12-14-28)21-8-4-20(25)5-9-21/h2-9,19H,10-17H2,1H3,(H,26,31)/t19-/m1/s1
InChIKeyMHKMVUWMHQYPKY-LJQANCHMSA-N
MW488.59 g/mol
LogP1.76
Rot. Bonds7

About (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 40775758) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID40775758
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29FN4O4S/c1-18-2-6-22(7-3-18)29-17-19(16-23(29)30)24(31)26-10-15-34(32,33)28-13-11-27(12-14-28)21-8-4-20(25)5-9-21/h2-9,19H,10-17H2,1H3,(H,26,31)/t19-/m1/s1
InChIKeyMHKMVUWMHQYPKY-LJQANCHMSA-N
XLogP1.76
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 40775783
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide
CID 74235590
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16881129
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55949729
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 40775758) is (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1.
What is the InChIKey of (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MHKMVUWMHQYPKY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c1-18-2-6-22(7-3-18)29-17-19(16-23(29)30)24(31)26-10-15-34(32,33)28-13-11-27(12-14-28)21-8-4-20(25)5-9-21/h2-9,19H,10-17H2,1H3,(H,26,31)/t19-/m1/s1.
What are the key properties of (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40775758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).