N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C24H25N3O5S — CID 55364843

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C24H25N3O5S/c1-26(17-18-7-3-2-4-8-18)33(30,31)20-13-11-19(12-14-20)25-23(28)21-9-5-15-27(21)24(29)22-10-6-16-32-22/h2-4,6-8,10-14,16,21H,5,9,15,17H2,1H3,(H,25,28)
InChIKeyWSCPOXPTCADRFU-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.34
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55364843) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55364843
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C24H25N3O5S/c1-26(17-18-7-3-2-4-8-18)33(30,31)20-13-11-19(12-14-20)25-23(28)21-9-5-15-27(21)24(29)22-10-6-16-32-22/h2-4,6-8,10-14,16,21H,5,9,15,17H2,1H3,(H,25,28)
InChIKeyWSCPOXPTCADRFU-UHFFFAOYSA-N
XLogP3.34
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51191794
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658971
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55991002
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152498
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 55364843) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is WSCPOXPTCADRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-26(17-18-7-3-2-4-8-18)33(30,31)20-13-11-19(12-14-20)25-23(28)21-9-5-15-27(21)24(29)22-10-6-16-32-22/h2-4,6-8,10-14,16,21H,5,9,15,17H2,1H3,(H,25,28).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55364843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).