1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide

C26H27FN4O4S — CID 54592293

IUPAC1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1
InChIInChI=1S/C26H27FN4O4S/c1-2-17-9-12-19(13-10-17)29-26(33)31-15-5-7-23(31)25(32)30-22-14-11-18(16-21(22)27)20-6-3-4-8-24(20)36(28,34)35/h3-4,6,8-14,16,23H,2,5,7,15H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35)
InChIKeyLLSZMIFWLGZGOT-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.34
Rot. Bonds6

About 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 54592293) has the molecular formula C26H27FN4O4S and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID54592293
Molecular FormulaC26H27FN4O4S
Molecular Weight510.59 g/mol
Exact Mass510.17
IUPAC Name1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1
InChIInChI=1S/C26H27FN4O4S/c1-2-17-9-12-19(13-10-17)29-26(33)31-15-5-7-23(31)25(32)30-22-14-11-18(16-21(22)27)20-6-3-4-8-24(20)36(28,34)35/h3-4,6,8-14,16,23H,2,5,7,15H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35)
InChIKeyLLSZMIFWLGZGOT-UHFFFAOYSA-N
XLogP4.34
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

4-Substituted Pyrrolidine Ring, 1
CID 16749087
4-Substituted Pyrrolidine Ring, 20
CID 16749189
4-Substituted Pyrrolidine Ring, 21
CID 16749190
P1 Phenyl Ring, 27
CID 21025981
P1 Phenyl Ring, 24
CID 21025982
P1 Phenyl Ring, 25
CID 21025984
P1 Phenyl Ring, 22
CID 21025990
4-Substituted Pyrrolidine Ring, 17
CID 54592298
4-Substituted Pyrrolidine Ring, 36
CID 54592301
N-(4-{[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl}phenyl)acetamide
CID 2965065
4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
CID 10128550
4-ethyl-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
CID 10174813

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 54592293) is 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is CCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is LLSZMIFWLGZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4S/c1-2-17-9-12-19(13-10-17)29-26(33)31-15-5-7-23(31)25(32)30-22-14-11-18(16-21(22)27)20-6-3-4-8-24(20)36(28,34)35/h3-4,6,8-14,16,23H,2,5,7,15H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35).
What are the key properties of 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 510.59 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 54592293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).