2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide

C19H22N4O4S — CID 38107357

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
SMILESCN(c1ccc(OCC(=O)NC2=NN(c3ccccc3)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-22(28(2,25)26)15-8-10-17(11-9-15)27-14-19(24)20-18-12-13-23(21-18)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,21,24)
InChIKeyLIAXNVRXECMXTN-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.80
Rot. Bonds6

About 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide (PubChem CID 38107357) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
PubChem CID38107357
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
SMILESCN(c1ccc(OCC(=O)NC2=NN(c3ccccc3)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-22(28(2,25)26)15-8-10-17(11-9-15)27-14-19(24)20-18-12-13-23(21-18)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,21,24)
InChIKeyLIAXNVRXECMXTN-UHFFFAOYSA-N
XLogP1.80
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 94140245
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100708318
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133250855

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide (CID 38107357) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide is CN(c1ccc(OCC(=O)NC2=NN(c3ccccc3)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The InChIKey is LIAXNVRXECMXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-22(28(2,25)26)15-8-10-17(11-9-15)27-14-19(24)20-18-12-13-23(21-18)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide is sourced from PubChem (CID 38107357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).