N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide

C20H21N3O4S — CID 2543092

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-14-9-11-17(12-10-14)28(26,27)13-18(24)21-19-15(2)22(3)23(20(19)25)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyBBSSWZFNLSGSKE-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.21
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 2543092) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID2543092
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-14-9-11-17(12-10-14)28(26,27)13-18(24)21-19-15(2)22(3)23(20(19)25)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyBBSSWZFNLSGSKE-UHFFFAOYSA-N
XLogP2.21
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 8827697
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344464
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)-3,3-dimethylbutanamide
CID 8701756
[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2438067
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514691
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CID 4857987
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344516
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 21212082
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
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide (CID 2543092) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is BBSSWZFNLSGSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14-9-11-17(12-10-14)28(26,27)13-18(24)21-19-15(2)22(3)23(20(19)25)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 399.47 g/mol, XLogP of 2.21, 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-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 2543092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).