2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide

C15H19FN4O3S — CID 110335622

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H19FN4O3S/c1-10-15(11(2)19-18-10)24(22,23)20(3)9-14(21)17-8-12-6-4-5-7-13(12)16/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyZVZHLUXLQGRBID-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.10
Rot. Bonds6

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 110335622) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID110335622
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H19FN4O3S/c1-10-15(11(2)19-18-10)24(22,23)20(3)9-14(21)17-8-12-6-4-5-7-13(12)16/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyZVZHLUXLQGRBID-UHFFFAOYSA-N
XLogP1.10
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 110335644
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110335743
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
CID 20858842
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335734
N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735
methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 110335720
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113152857

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide (CID 110335622) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1F.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is ZVZHLUXLQGRBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-10-15(11(2)19-18-10)24(22,23)20(3)9-14(21)17-8-12-6-4-5-7-13(12)16/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 110335622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).