ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate

C12H18N2O3S — CID 60703501

IUPACethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
SMILESCCCNCC(=O)Nc1sccc1C(=O)OCC
InChIInChI=1S/C12H18N2O3S/c1-3-6-13-8-10(15)14-11-9(5-7-18-11)12(16)17-4-2/h5,7,13H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeySVFFACZELZHSJN-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.86
Rot. Bonds7

About ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate (PubChem CID 60703501) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
PubChem CID60703501
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
SMILESCCCNCC(=O)Nc1sccc1C(=O)OCC
InChIInChI=1S/C12H18N2O3S/c1-3-6-13-8-10(15)14-11-9(5-7-18-11)12(16)17-4-2/h5,7,13H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeySVFFACZELZHSJN-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 36553918
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 7597005
ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 61118419
ethyl 2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 42041710
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
CID 60512305
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
CID 112573422
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate (CID 60703501) is ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate is CCCNCC(=O)Nc1sccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is SVFFACZELZHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-6-13-8-10(15)14-11-9(5-7-18-11)12(16)17-4-2/h5,7,13H,3-4,6,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 60703501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).