N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide

C22H26N4O5S — CID 30265732

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1
InChIInChI=1S/C22H26N4O5S/c1-5-31-19-13-9-12-18(14-19)25(32(4,29)30)15-20(27)23-21-16(2)24(3)26(22(21)28)17-10-7-6-8-11-17/h6-14H,5,15H2,1-4H3,(H,23,27)
InChIKeyJJCRPCYPRYHUNM-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.29
Rot. Bonds8

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30265732) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30265732
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1
InChIInChI=1S/C22H26N4O5S/c1-5-31-19-13-9-12-18(14-19)25(32(4,29)30)15-20(27)23-21-16(2)24(3)26(22(21)28)17-10-7-6-8-11-17/h6-14H,5,15H2,1-4H3,(H,23,27)
InChIKeyJJCRPCYPRYHUNM-UHFFFAOYSA-N
XLogP2.29
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 21212082
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 126415130
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 126181615
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
CID 30272380
2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 4819220
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 30270152
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100531798

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide (CID 30265732) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is JJCRPCYPRYHUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-5-31-19-13-9-12-18(14-19)25(32(4,29)30)15-20(27)23-21-16(2)24(3)26(22(21)28)17-10-7-6-8-11-17/h6-14H,5,15H2,1-4H3,(H,23,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 458.54 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30265732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).