2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide

C24H36FN5O3S — CID 164929687

IUPAC2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
SMILESCC(C)c1cc(CC(=O)NS(=O)(=O)N(C[C@H]2C[C@@H](F)CN2C)c2cnn(C)c2)cc(C(C)C)c1
InChIInChI=1S/C24H36FN5O3S/c1-16(2)19-7-18(8-20(10-19)17(3)4)9-24(31)27-34(32,33)30(23-12-26-29(6)14-23)15-22-11-21(25)13-28(22)5/h7-8,10,12,14,16-17,21-22H,9,11,13,15H2,1-6H3,(H,27,31)/t21-,22-/m1/s1
InChIKeyCXOLESXXJSYZJP-FGZHOGPDSA-N
MW493.65 g/mol
LogP3.12
Rot. Bonds9

About 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide

2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide (PubChem CID 164929687) has the molecular formula C24H36FN5O3S and a molecular weight of 493.65 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
PubChem CID164929687
Molecular FormulaC24H36FN5O3S
Molecular Weight493.65 g/mol
Exact Mass493.25
IUPAC Name2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
SMILESCC(C)c1cc(CC(=O)NS(=O)(=O)N(C[C@H]2C[C@@H](F)CN2C)c2cnn(C)c2)cc(C(C)C)c1
InChIInChI=1S/C24H36FN5O3S/c1-16(2)19-7-18(8-20(10-19)17(3)4)9-24(31)27-34(32,33)30(23-12-26-29(6)14-23)15-22-11-21(25)13-28(22)5/h7-8,10,12,14,16-17,21-22H,9,11,13,15H2,1-6H3,(H,27,31)/t21-,22-/m1/s1
InChIKeyCXOLESXXJSYZJP-FGZHOGPDSA-N
XLogP3.12
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide with MolForge

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Related Compounds

2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide
CID 164929724
1-(3-ethyl-4-fluoro-5-methylphenyl)-3-[(1-methylpyrazol-4-yl)-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea
CID 155459421
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155225377
tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2S)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]carbamate;2,2,2-trifluoroacetic acid
CID 162123038
1-[2,5-di(propan-2-yl)thiophen-3-yl]-3-[(2-hydroxy-2-methylpropyl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155400788
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
CID 155389576
CID 155390020
CID 155390020
tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate
CID 155389034
tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate
CID 162749581
sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide
CID 158189065
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]urea
CID 170689309
2-(3,5-dimethylphenyl)-N-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfinamoyl]acetamide
CID 155396509

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
The IUPAC name of 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide (CID 164929687) is 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
The canonical SMILES for 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide is CC(C)c1cc(CC(=O)NS(=O)(=O)N(C[C@H]2C[C@@H](F)CN2C)c2cnn(C)c2)cc(C(C)C)c1.
What is the InChIKey of 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
The InChIKey is CXOLESXXJSYZJP-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H36FN5O3S/c1-16(2)19-7-18(8-20(10-19)17(3)4)9-24(31)27-34(32,33)30(23-12-26-29(6)14-23)15-22-11-21(25)13-28(22)5/h7-8,10,12,14,16-17,21-22H,9,11,13,15H2,1-6H3,(H,27,31)/t21-,22-/m1/s1.
What are the key properties of 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide has a molecular weight of 493.65 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide is sourced from PubChem (CID 164929687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).