N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide

C24H21FN2O4S — CID 135021241

IUPACN-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)[C@@H](NC(=O)c3ccccc3)C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O4S/c1-16-7-13-20(14-8-16)32(30,31)27-22(17-9-11-19(25)12-10-17)15-21(24(27)29)26-23(28)18-5-3-2-4-6-18/h2-14,21-22H,15H2,1H3,(H,26,28)/t21-,22-/m0/s1
InChIKeyNTQUSICOFJFGMP-VXKWHMMOSA-N
MW452.51 g/mol
LogP3.60
Rot. Bonds5

About N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide

N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 135021241) has the molecular formula C24H21FN2O4S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide
PubChem CID135021241
Molecular FormulaC24H21FN2O4S
Molecular Weight452.51 g/mol
Exact Mass452.12
IUPAC NameN-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)[C@@H](NC(=O)c3ccccc3)C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O4S/c1-16-7-13-20(14-8-16)32(30,31)27-22(17-9-11-19(25)12-10-17)15-21(24(27)29)26-23(28)18-5-3-2-4-6-18/h2-14,21-22H,15H2,1H3,(H,26,28)/t21-,22-/m0/s1
InChIKeyNTQUSICOFJFGMP-VXKWHMMOSA-N
XLogP3.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
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(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
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CID 162407869
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CID 86224667
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
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CID 102590772
2-(4-fluorophenyl)-5-(4-methoxybutyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 10201316
ethyl (2E)-2-[4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylazetidin-2-ylidene]acetate
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide (CID 135021241) is N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide is Cc1ccc(S(=O)(=O)N2C(=O)[C@@H](NC(=O)c3ccccc3)C[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is NTQUSICOFJFGMP-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H21FN2O4S/c1-16-7-13-20(14-8-16)32(30,31)27-22(17-9-11-19(25)12-10-17)15-21(24(27)29)26-23(28)18-5-3-2-4-6-18/h2-14,21-22H,15H2,1H3,(H,26,28)/t21-,22-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide?
N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 135021241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).