2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H21N3O5S — CID 4846486

IUPAC2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N3O5S/c1-14-4-10-19(11-5-14)30(27,28)24(18-8-6-17(7-9-18)16(3)25)13-21(26)22-20-12-15(2)29-23-20/h4-12H,13H2,1-3H3,(H,22,23,26)
InChIKeyPVZXTUBAAOPTPI-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.33
Rot. Bonds7

About 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4846486) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4846486
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N3O5S/c1-14-4-10-19(11-5-14)30(27,28)24(18-8-6-17(7-9-18)16(3)25)13-21(26)22-20-12-15(2)29-23-20/h4-12H,13H2,1-3H3,(H,22,23,26)
InChIKeyPVZXTUBAAOPTPI-UHFFFAOYSA-N
XLogP3.33
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2344800
N-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310191
N-(5-methyl-3-isoxazolyl)-4-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1300581
N-(5-Methyl-isoxazol-3-yl)-3-p-tolylsulfamoyl-benzamide
CID 1253133
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide
CID 4431371
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7189756
1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide
CID 2425592
2-methyl-N-(5-methyl-3-isoxazolyl)-1,1,4-trioxo-3H-1$l^{6},2-benzothiazine-3-carboxamide
CID 20507134
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-3-phenyl-propionamide
CID 644808
4-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
CID 969735
N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}-2-(4-nitrophenyl)acetamide
CID 2166679
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2354951

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4846486) is 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)c1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PVZXTUBAAOPTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-14-4-10-19(11-5-14)30(27,28)24(18-8-6-17(7-9-18)16(3)25)13-21(26)22-20-12-15(2)29-23-20/h4-12H,13H2,1-3H3,(H,22,23,26).
What are the key properties of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 427.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4846486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).