[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C14H20N2O4S — CID 7807951

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(C)CCNC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-10(2)5-6-15-12(17)9-20-13(18)8-16-14(19)11-4-3-7-21-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyFGMHLFRAXUAYAY-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.18
Rot. Bonds8

About [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7807951) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID7807951
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(C)CCNC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-10(2)5-6-15-12(17)9-20-13(18)8-16-14(19)11-4-3-7-21-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyFGMHLFRAXUAYAY-UHFFFAOYSA-N
XLogP1.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808026
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662447
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662212
(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
CID 107834928
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 16598721
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 7807951) is [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is CC(C)CCNC(=O)COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is FGMHLFRAXUAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(2)5-6-15-12(17)9-20-13(18)8-16-14(19)11-4-3-7-21-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 312.39 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7807951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).