2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide

C16H21N3O4S — CID 110335555

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H21N3O4S/c1-11-6-5-7-14(8-11)9-17-15(20)10-19(4)24(21,22)16-12(2)18-23-13(16)3/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyQPJGUASBOFPQRS-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.54
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 110335555) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID110335555
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H21N3O4S/c1-11-6-5-7-14(8-11)9-17-15(20)10-19(4)24(21,22)16-12(2)18-23-13(16)3/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyQPJGUASBOFPQRS-UHFFFAOYSA-N
XLogP1.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100794524
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567
N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 24608455
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522653
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
CID 46415351
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8002079
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
3-[methyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911397
N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 5307909
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 111488709
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]-4-methylbenzamide
CID 110636092

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide (CID 110335555) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is QPJGUASBOFPQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-6-5-7-14(8-11)9-17-15(20)10-19(4)24(21,22)16-12(2)18-23-13(16)3/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110335555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).