1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide

C20H24F2N4O4S — CID 177192777

IUPAC1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1c(N2CC(C(C)C)CC2C(=O)Nc2ccnc(S(N)(=O)=O)c2)ccc(F)c1F
InChIInChI=1S/C20H24F2N4O4S/c1-11(2)12-8-16(20(27)25-13-6-7-24-17(9-13)31(23,28)29)26(10-12)15-5-4-14(21)18(22)19(15)30-3/h4-7,9,11-12,16H,8,10H2,1-3H3,(H2,23,28,29)(H,24,25,27)
InChIKeyAKPUKKPKRQGTTP-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.51
Rot. Bonds6

About 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide

1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 177192777) has the molecular formula C20H24F2N4O4S and a molecular weight of 454.50 g/mol. Its IUPAC name is 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID177192777
Molecular FormulaC20H24F2N4O4S
Molecular Weight454.50 g/mol
Exact Mass454.15
IUPAC Name1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1c(N2CC(C(C)C)CC2C(=O)Nc2ccnc(S(N)(=O)=O)c2)ccc(F)c1F
InChIInChI=1S/C20H24F2N4O4S/c1-11(2)12-8-16(20(27)25-13-6-7-24-17(9-13)31(23,28)29)26(10-12)15-5-4-14(21)18(22)19(15)30-3/h4-7,9,11-12,16H,8,10H2,1-3H3,(H2,23,28,29)(H,24,25,27)
InChIKeyAKPUKKPKRQGTTP-UHFFFAOYSA-N
XLogP2.51
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide (CID 177192777) is 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide is COc1c(N2CC(C(C)C)CC2C(=O)Nc2ccnc(S(N)(=O)=O)c2)ccc(F)c1F.
What is the InChIKey of 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is AKPUKKPKRQGTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O4S/c1-11(2)12-8-16(20(27)25-13-6-7-24-17(9-13)31(23,28)29)26(10-12)15-5-4-14(21)18(22)19(15)30-3/h4-7,9,11-12,16H,8,10H2,1-3H3,(H2,23,28,29)(H,24,25,27).
What are the key properties of 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide?
1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 177192777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).