2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide

C26H27N5O3S — CID 91623445

IUPAC2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(Nc3cccc(C)c3)c(S(=O)(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C26H27N5O3S/c1-3-19-12-14-20(15-13-19)28-23(32)17-31-25(27)24(35(33,34)22-10-5-4-6-11-22)26(30-31)29-21-9-7-8-18(2)16-21/h4-16H,3,17,27H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyPSOFJPPZISFMFO-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.55
Rot. Bonds8

About 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide

2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 91623445) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID91623445
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(Nc3cccc(C)c3)c(S(=O)(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C26H27N5O3S/c1-3-19-12-14-20(15-13-19)28-23(32)17-31-25(27)24(35(33,34)22-10-5-4-6-11-22)26(30-31)29-21-9-7-8-18(2)16-21/h4-16H,3,17,27H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyPSOFJPPZISFMFO-UHFFFAOYSA-N
XLogP4.55
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 42585346
2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 91623371
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 50790450
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50790451
2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 18591622
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
CID 1311149
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
ethyl 2-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate
CID 50790380
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
CID 50790553
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide (CID 91623445) is 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2nc(Nc3cccc(C)c3)c(S(=O)(=O)c3ccccc3)c2N)cc1.
What is the InChIKey of 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is PSOFJPPZISFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-3-19-12-14-20(15-13-19)28-23(32)17-31-25(27)24(35(33,34)22-10-5-4-6-11-22)26(30-31)29-21-9-7-8-18(2)16-21/h4-16H,3,17,27H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide?
2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 489.60 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 91623445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).