2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide

C22H25FN4O3S — CID 20930102

IUPAC2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C22H25FN4O3S/c1-14-10-15(2)12-20(11-14)27(13-21(28)24-19-8-6-18(23)7-9-19)31(29,30)22-16(3)25-26(5)17(22)4/h6-12H,13H2,1-5H3,(H,24,28)
InChIKeyJMWNLCXMTRNWEI-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.63
Rot. Bonds6

About 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide

2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 20930102) has the molecular formula C22H25FN4O3S and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID20930102
Molecular FormulaC22H25FN4O3S
Molecular Weight444.53 g/mol
Exact Mass444.16
IUPAC Name2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C22H25FN4O3S/c1-14-10-15(2)12-20(11-14)27(13-21(28)24-19-8-6-18(23)7-9-19)31(29,30)22-16(3)25-26(5)17(22)4/h6-12H,13H2,1-5H3,(H,24,28)
InChIKeyJMWNLCXMTRNWEI-UHFFFAOYSA-N
XLogP3.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760317
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 20858729
2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 20930109
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868381
N-tert-butyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760200
2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide
CID 20862141
N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760379
N-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868383
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858755
N-(4-methyl-2-pyridinyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 122175690
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide (CID 20930102) is 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide is Cc1cc(C)cc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is JMWNLCXMTRNWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S/c1-14-10-15(2)12-20(11-14)27(13-21(28)24-19-8-6-18(23)7-9-19)31(29,30)22-16(3)25-26(5)17(22)4/h6-12H,13H2,1-5H3,(H,24,28).
What are the key properties of 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 444.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 20930102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).