N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide

C23H21N3O4S — CID 3879904

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1c(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H21N3O4S/c1-16-22(23(28)26(25(16)2)19-10-4-3-5-11-19)24-21(27)15-31(29,30)20-13-12-17-8-6-7-9-18(17)14-20/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyJYDAJOKAWZXWSH-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.05
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 3879904) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide
PubChem CID3879904
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1c(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H21N3O4S/c1-16-22(23(28)26(25(16)2)19-10-4-3-5-11-19)24-21(27)15-31(29,30)20-13-12-17-8-6-7-9-18(17)14-20/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyJYDAJOKAWZXWSH-UHFFFAOYSA-N
XLogP3.05
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 2543092
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827697
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 2709614
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514691
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 4857987
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 126181615
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299276
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 28631931
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide (CID 3879904) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide is Cc1c(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is JYDAJOKAWZXWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-16-22(23(28)26(25(16)2)19-10-4-3-5-11-19)24-21(27)15-31(29,30)20-13-12-17-8-6-7-9-18(17)14-20/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 435.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 3879904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).