1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

C18H20FN3O5S — CID 24625238

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C18H20FN3O5S/c19-13-5-7-15(8-6-13)28(25,26)22-9-1-4-16(22)18(24)21-12-17(23)20-11-14-3-2-10-27-14/h2-3,5-8,10,16H,1,4,9,11-12H2,(H,20,23)(H,21,24)
InChIKeyXZAPUIZNZBWWJR-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.00
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 24625238) has the molecular formula C18H20FN3O5S and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID24625238
Molecular FormulaC18H20FN3O5S
Molecular Weight409.44 g/mol
Exact Mass409.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C18H20FN3O5S/c19-13-5-7-15(8-6-13)28(25,26)22-9-1-4-16(22)18(24)21-12-17(23)20-11-14-3-2-10-27-14/h2-3,5-8,10,16H,1,4,9,11-12H2,(H,20,23)(H,21,24)
InChIKeyXZAPUIZNZBWWJR-UHFFFAOYSA-N
XLogP1.00
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 41008117
N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 4881632
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 51292308
1-(4-bromophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 24617176
methyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023574
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 16836984
N-[(3-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 70941491
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 24625238) is 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is O=C(CNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is XZAPUIZNZBWWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S/c19-13-5-7-15(8-6-13)28(25,26)22-9-1-4-16(22)18(24)21-12-17(23)20-11-14-3-2-10-27-14/h2-3,5-8,10,16H,1,4,9,11-12H2,(H,20,23)(H,21,24).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24625238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).