N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C22H20FN3O5S — CID 24658971

IUPACN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C22H20FN3O5S/c23-15-5-11-18(12-6-15)32(29,30)25-17-9-7-16(8-10-17)24-21(27)19-3-1-13-26(19)22(28)20-4-2-14-31-20/h2,4-12,14,19,25H,1,3,13H2,(H,24,27)
InChIKeyURTUWZMGKARXSK-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.46
Rot. Bonds6

About N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 24658971) has the molecular formula C22H20FN3O5S and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID24658971
Molecular FormulaC22H20FN3O5S
Molecular Weight457.48 g/mol
Exact Mass457.11
IUPAC NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C22H20FN3O5S/c23-15-5-11-18(12-6-15)32(29,30)25-17-9-7-16(8-10-17)24-21(27)19-3-1-13-26(19)22(28)20-4-2-14-31-20/h2,4-12,14,19,25H,1,3,13H2,(H,24,27)
InChIKeyURTUWZMGKARXSK-UHFFFAOYSA-N
XLogP3.46
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55364843
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51191794
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830865
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 24658971) is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is URTUWZMGKARXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5S/c23-15-5-11-18(12-6-15)32(29,30)25-17-9-7-16(8-10-17)24-21(27)19-3-1-13-26(19)22(28)20-4-2-14-31-20/h2,4-12,14,19,25H,1,3,13H2,(H,24,27).
What are the key properties of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24658971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).