ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate

C13H20N2O3S — CID 62838371

IUPACethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
SMILESCCNC(C)CC(=O)Nc1sccc1C(=O)OCC
InChIInChI=1S/C13H20N2O3S/c1-4-14-9(3)8-11(16)15-12-10(6-7-19-12)13(17)18-5-2/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyQTQRVVCPRVPTFA-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.25
Rot. Bonds7

About ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate

ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate (PubChem CID 62838371) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
PubChem CID62838371
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
SMILESCCNC(C)CC(=O)Nc1sccc1C(=O)OCC
InChIInChI=1S/C13H20N2O3S/c1-4-14-9(3)8-11(16)15-12-10(6-7-19-12)13(17)18-5-2/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyQTQRVVCPRVPTFA-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 7597005
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
CID 60512305
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
CID 112573422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate (CID 62838371) is ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate is CCNC(C)CC(=O)Nc1sccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate?
The InChIKey is QTQRVVCPRVPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-14-9(3)8-11(16)15-12-10(6-7-19-12)13(17)18-5-2/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate?
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 62838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).