2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide

C23H26N4O4S — CID 154835046

IUPAC2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-22(17(2)27(25-16)20-8-6-5-7-9-20)15-26(4)23(29)14-24-32(30,31)21-12-10-19(11-13-21)18(3)28/h5-13,24H,14-15H2,1-4H3
InChIKeyOMMYFRIAPIEYBA-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.63
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide

2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 154835046) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID154835046
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-22(17(2)27(25-16)20-8-6-5-7-9-20)15-26(4)23(29)14-24-32(30,31)21-12-10-19(11-13-21)18(3)28/h5-13,24H,14-15H2,1-4H3
InChIKeyOMMYFRIAPIEYBA-UHFFFAOYSA-N
XLogP2.63
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
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N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
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3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
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3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide
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N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
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2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
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CID 55363766
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
(2S)-N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 9436816
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide (CID 154835046) is 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide is CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is OMMYFRIAPIEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16-22(17(2)27(25-16)20-8-6-5-7-9-20)15-26(4)23(29)14-24-32(30,31)21-12-10-19(11-13-21)18(3)28/h5-13,24H,14-15H2,1-4H3.
What are the key properties of 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 454.55 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 154835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).