(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide

C24H28FN3O5S — CID 40964069

IUPAC(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H28FN3O5S/c25-19-5-3-17(4-6-19)11-12-28-16-18(14-23(28)29)24(30)27-20-7-9-22(10-8-20)34(31,32)26-15-21-2-1-13-33-21/h3-10,18,21,26H,1-2,11-16H2,(H,27,30)/t18-,21-/m1/s1
InChIKeyKUFZBJNJFHFBPA-WIYYLYMNSA-N
MW489.57 g/mol
LogP2.31
Rot. Bonds9

About (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide

(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 40964069) has the molecular formula C24H28FN3O5S and a molecular weight of 489.57 g/mol. Its IUPAC name is (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID40964069
Molecular FormulaC24H28FN3O5S
Molecular Weight489.57 g/mol
Exact Mass489.17
IUPAC Name(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H28FN3O5S/c25-19-5-3-17(4-6-19)11-12-28-16-18(14-23(28)29)24(30)27-20-7-9-22(10-8-20)34(31,32)26-15-21-2-1-13-33-21/h3-10,18,21,26H,1-2,11-16H2,(H,27,30)/t18-,21-/m1/s1
InChIKeyKUFZBJNJFHFBPA-WIYYLYMNSA-N
XLogP2.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002454
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964170
(3R)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 41002376
1-tert-butyl-5-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6497371
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964063
(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002417
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964057
(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374219
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide (CID 40964069) is (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is KUFZBJNJFHFBPA-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H28FN3O5S/c25-19-5-3-17(4-6-19)11-12-28-16-18(14-23(28)29)24(30)27-20-7-9-22(10-8-20)34(31,32)26-15-21-2-1-13-33-21/h3-10,18,21,26H,1-2,11-16H2,(H,27,30)/t18-,21-/m1/s1.
What are the key properties of (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 489.57 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 40964069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).