[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate

C16H21N3O6S2 — CID 55704749

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCCCCC(OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H21N3O6S2/c1-3-4-6-12(16(21)18-13-9-11(2)25-19-13)24-14(20)10-17-27(22,23)15-7-5-8-26-15/h5,7-9,12,17H,3-4,6,10H2,1-2H3,(H,18,19,21)
InChIKeyFTKCUYDXJWNYDH-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.06
Rot. Bonds10

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 55704749) has the molecular formula C16H21N3O6S2 and a molecular weight of 415.49 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID55704749
Molecular FormulaC16H21N3O6S2
Molecular Weight415.49 g/mol
Exact Mass415.09
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCCCCC(OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H21N3O6S2/c1-3-4-6-12(16(21)18-13-9-11(2)25-19-13)24-14(20)10-17-27(22,23)15-7-5-8-26-15/h5,7-9,12,17H,3-4,6,10H2,1-2H3,(H,18,19,21)
InChIKeyFTKCUYDXJWNYDH-UHFFFAOYSA-N
XLogP2.06
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55561853
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 46623607
2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17441178
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 27352608
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
CID 118265067
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-thiophen-3-ylpropanoate
CID 46645264
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 46645593
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 55535745
2-(butylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370271
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065296

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 55704749) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate is CCCCC(OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is FTKCUYDXJWNYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S2/c1-3-4-6-12(16(21)18-13-9-11(2)25-19-13)24-14(20)10-17-27(22,23)15-7-5-8-26-15/h5,7-9,12,17H,3-4,6,10H2,1-2H3,(H,18,19,21).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 415.49 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 55704749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).