[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C16H16N2O5S2 — CID 9066293

IUPAC[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2cccs2)s1
InChIInChI=1S/C16H16N2O5S2/c1-10-4-5-12(25-10)11(19)9-23-15(21)8-17-14(20)7-18-16(22)13-3-2-6-24-13/h2-6H,7-9H2,1H3,(H,17,20)(H,18,22)
InChIKeyIUDGJTJDIDBWJO-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.39
Rot. Bonds8

About [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 9066293) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID9066293
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2cccs2)s1
InChIInChI=1S/C16H16N2O5S2/c1-10-4-5-12(25-10)11(19)9-23-15(21)8-17-14(20)7-18-16(22)13-3-2-6-24-13/h2-6H,7-9H2,1H3,(H,17,20)(H,18,22)
InChIKeyIUDGJTJDIDBWJO-UHFFFAOYSA-N
XLogP1.39
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8521613
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066280
(2-oxo-2-thiophen-2-ylethyl) 2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]acetate
CID 3518891
[2-(3-fluorophenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 8677246
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18229368
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066291
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066239
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662283
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-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 9066293) is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is Cc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2cccs2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is IUDGJTJDIDBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-10-4-5-12(25-10)11(19)9-23-15(21)8-17-14(20)7-18-16(22)13-3-2-6-24-13/h2-6H,7-9H2,1H3,(H,17,20)(H,18,22).
What are the key properties of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 380.45 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 9066293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).