N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C28H24FN3O4S — CID 4994407

IUPACN-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H24FN3O4S/c29-21-12-14-22(15-13-21)30-27(33)24-8-3-4-9-25(24)31-28(34)26-10-5-17-32(26)37(35,36)23-16-11-19-6-1-2-7-20(19)18-23/h1-4,6-9,11-16,18,26H,5,10,17H2,(H,30,33)(H,31,34)
InChIKeyWZQMXQZAPUNAQL-UHFFFAOYSA-N
MW517.58 g/mol
LogP5.02
Rot. Bonds6

About N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 4994407) has the molecular formula C28H24FN3O4S and a molecular weight of 517.58 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID4994407
Molecular FormulaC28H24FN3O4S
Molecular Weight517.58 g/mol
Exact Mass517.15
IUPAC NameN-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H24FN3O4S/c29-21-12-14-22(15-13-21)30-27(33)24-8-3-4-9-25(24)31-28(34)26-10-5-17-32(26)37(35,36)23-16-11-19-6-1-2-7-20(19)18-23/h1-4,6-9,11-16,18,26H,5,10,17H2,(H,30,33)(H,31,34)
InChIKeyWZQMXQZAPUNAQL-UHFFFAOYSA-N
XLogP5.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413
(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779328
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2S)-N-(3-acetamido-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24673596

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 4994407) is N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WZQMXQZAPUNAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4S/c29-21-12-14-22(15-13-21)30-27(33)24-8-3-4-9-25(24)31-28(34)26-10-5-17-32(26)37(35,36)23-16-11-19-6-1-2-7-20(19)18-23/h1-4,6-9,11-16,18,26H,5,10,17H2,(H,30,33)(H,31,34).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 517.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4994407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).