2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide

C23H34N4O4S — CID 164929724

IUPAC2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide
SMILESCC(C)c1cc(CC(=O)NS(=O)(=O)N(CC2CCCO2)c2cnn(C)c2)cc(C(C)C)c1
InChIInChI=1S/C23H34N4O4S/c1-16(2)19-9-18(10-20(12-19)17(3)4)11-23(28)25-32(29,30)27(15-22-7-6-8-31-22)21-13-24-26(5)14-21/h9-10,12-14,16-17,22H,6-8,11,15H2,1-5H3,(H,25,28)
InChIKeyJABXKOBBPMKUHV-UHFFFAOYSA-N
MW462.62 g/mol
LogP3.26
Rot. Bonds9

About 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide

2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide (PubChem CID 164929724) has the molecular formula C23H34N4O4S and a molecular weight of 462.62 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide
PubChem CID164929724
Molecular FormulaC23H34N4O4S
Molecular Weight462.62 g/mol
Exact Mass462.23
IUPAC Name2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide
SMILESCC(C)c1cc(CC(=O)NS(=O)(=O)N(CC2CCCO2)c2cnn(C)c2)cc(C(C)C)c1
InChIInChI=1S/C23H34N4O4S/c1-16(2)19-9-18(10-20(12-19)17(3)4)11-23(28)25-32(29,30)27(15-22-7-6-8-31-22)21-13-24-26(5)14-21/h9-10,12-14,16-17,22H,6-8,11,15H2,1-5H3,(H,25,28)
InChIKeyJABXKOBBPMKUHV-UHFFFAOYSA-N
XLogP3.26
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate
CID 162749581
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
N'-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamimidate
CID 170689304
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278
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
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
1-methyl-4-[(oxolan-2-ylmethylamino)-sulfinoamino]pyrazole
CID 155389004
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide
CID 99990665
1-(3-ethyl-4-fluoro-5-methylphenyl)-3-[(1-methylpyrazol-4-yl)-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea
CID 155459421

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide?
The IUPAC name of 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide (CID 164929724) is 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide?
The canonical SMILES for 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide is CC(C)c1cc(CC(=O)NS(=O)(=O)N(CC2CCCO2)c2cnn(C)c2)cc(C(C)C)c1.
What is the InChIKey of 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide?
The InChIKey is JABXKOBBPMKUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4S/c1-16(2)19-9-18(10-20(12-19)17(3)4)11-23(28)25-32(29,30)27(15-22-7-6-8-31-22)21-13-24-26(5)14-21/h9-10,12-14,16-17,22H,6-8,11,15H2,1-5H3,(H,25,28).
What are the key properties of 2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide?
2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide has a molecular weight of 462.62 g/mol, XLogP of 3.26, 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-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide is sourced from PubChem (CID 164929724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).