methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate

C15H17N3O6S — CID 110295798

IUPACmethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H17N3O6S/c1-9-14(10(2)24-18-9)25(21,22)16-8-13(19)17-12-6-4-11(5-7-12)15(20)23-3/h4-7,16H,8H2,1-3H3,(H,17,19)
InChIKeySVVNTQQHYHSTQW-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.00
Rot. Bonds6

About methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate

methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate (PubChem CID 110295798) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
PubChem CID110295798
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Namemethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H17N3O6S/c1-9-14(10(2)24-18-9)25(21,22)16-8-13(19)17-12-6-4-11(5-7-12)15(20)23-3/h4-7,16H,8H2,1-3H3,(H,17,19)
InChIKeySVVNTQQHYHSTQW-UHFFFAOYSA-N
XLogP1.00
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(3-acetylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295792
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295806
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate
CID 9455723
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110618656
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737077
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
methyl 4-[[2-[(3-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999985
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 26942614
methyl 4-[[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carbonyl]amino]benzoate
CID 41024765
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614434

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate (CID 110295798) is methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
The InChIKey is SVVNTQQHYHSTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-9-14(10(2)24-18-9)25(21,22)16-8-13(19)17-12-6-4-11(5-7-12)15(20)23-3/h4-7,16H,8H2,1-3H3,(H,17,19).
What are the key properties of methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate has a molecular weight of 367.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate is sourced from PubChem (CID 110295798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).