[2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C17H15N3O4S — CID 2409339

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C#N)s1
InChIInChI=1S/C17H15N3O4S/c1-11-6-7-14(25-11)17(23)19-9-16(22)24-10-15(21)20-13-5-3-2-4-12(13)8-18/h2-7H,9-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyWGZVSFVEKMAASJ-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.84
Rot. Bonds6

About [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2409339) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2409339
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C#N)s1
InChIInChI=1S/C17H15N3O4S/c1-11-6-7-14(25-11)17(23)19-9-16(22)24-10-15(21)20-13-5-3-2-4-12(13)8-18/h2-7H,9-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyWGZVSFVEKMAASJ-UHFFFAOYSA-N
XLogP1.84
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2340519
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2385732
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[1-[4-(Dimethylamino)anilino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3481272
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4283704
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 4789751
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4876113
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 5057095
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2099403
[2-(3-methylanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2115394
[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2115423
[2-(2-methylanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2346581

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2409339) is [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C#N)s1.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is WGZVSFVEKMAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11-6-7-14(25-11)17(23)19-9-16(22)24-10-15(21)20-13-5-3-2-4-12(13)8-18/h2-7H,9-10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 357.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2409339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).