ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate

C12H17NO3S — CID 60728044

IUPACethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C12H17NO3S/c1-4-9-8(3)6-10(17-9)12(15)13-7-11(14)16-5-2/h6H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyGVBBURUTMOIFCV-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.91
Rot. Bonds5

About ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate

ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 60728044) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
PubChem CID60728044
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C12H17NO3S/c1-4-9-8(3)6-10(17-9)12(15)13-7-11(14)16-5-2/h6H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyGVBBURUTMOIFCV-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
5-ethyl-N-(2-methoxyethoxy)-4-methylthiophene-2-carboxamide
CID 79675744
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
CID 115701533
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
N-(3,3-difluoro-2-hydroxypropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 113258539
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
CID 80711832
5-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 78802800
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 114006203
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 86950498
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 47138313

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate (CID 60728044) is ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(C)c(CC)s1.
What is the InChIKey of ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is GVBBURUTMOIFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-9-8(3)6-10(17-9)12(15)13-7-11(14)16-5-2/h6H,4-5,7H2,1-3H3,(H,13,15).
What are the key properties of ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate?
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 255.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 60728044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).