2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide

C25H32N4O4S — CID 2089380

IUPAC2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H32N4O4S/c1-7-13-26-22(30)16-28(34(32,33)24-18(3)14-17(2)15-19(24)4)23-20(5)27(6)29(25(23)31)21-11-9-8-10-12-21/h8-12,14-15H,7,13,16H2,1-6H3,(H,26,30)
InChIKeyCPACPJFYZDDIST-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.13
Rot. Bonds8

About 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide

2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide (PubChem CID 2089380) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
PubChem CID2089380
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H32N4O4S/c1-7-13-26-22(30)16-28(34(32,33)24-18(3)14-17(2)15-19(24)4)23-20(5)27(6)29(25(23)31)21-11-9-8-10-12-21/h8-12,14-15H,7,13,16H2,1-6H3,(H,26,30)
InChIKeyCPACPJFYZDDIST-UHFFFAOYSA-N
XLogP3.13
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2106963
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 31883809
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 4805287
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate
CID 6960528
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-4-methylbenzenesulfonamide
CID 23931661
N-[3-(4-bromo-2-methoxyphenyl)propyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzenesulfonamide
CID 166352116
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfonylamino]acetate
CID 9172927
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 98087091
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880279
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 29431037
[[1,5-dimethyl-3-oxo-2-[4-[4-oxo-4-(propylamino)butanoyl]phenyl]pyrazol-4-yl]-methylamino]methanesulfonic acid
CID 59810305
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 21373176

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide (CID 2089380) is 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is CPACPJFYZDDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-7-13-26-22(30)16-28(34(32,33)24-18(3)14-17(2)15-19(24)4)23-20(5)27(6)29(25(23)31)21-11-9-8-10-12-21/h8-12,14-15H,7,13,16H2,1-6H3,(H,26,30).
What are the key properties of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 484.62 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 2089380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).