ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate

C14H22N2O3S — CID 103421006

IUPACethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
SMILESCCCN(CC)c1sc(C(C)=O)c(N)c1C(=O)OCC
InChIInChI=1S/C14H22N2O3S/c1-5-8-16(6-2)13-10(14(18)19-7-3)11(15)12(20-13)9(4)17/h5-8,15H2,1-4H3
InChIKeyMPUPRILWRYHUGO-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.95
Rot. Bonds7

About ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate

ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate (PubChem CID 103421006) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
PubChem CID103421006
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nameethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
SMILESCCCN(CC)c1sc(C(C)=O)c(N)c1C(=O)OCC
InChIInChI=1S/C14H22N2O3S/c1-5-8-16(6-2)13-10(14(18)19-7-3)11(15)12(20-13)9(4)17/h5-8,15H2,1-4H3
InChIKeyMPUPRILWRYHUGO-UHFFFAOYSA-N
XLogP2.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103421370
ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate
CID 103421293
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
CID 103422466
ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103419240
3-amino-2-N-ethyl-5-[ethyl(propyl)amino]-4-N-methylthiophene-2,4-dicarboxamide
CID 103421012
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
4-O-ethyl 2-O-methyl 3-amino-5-[butyl(methyl)amino]thiophene-2,4-dicarboxylate
CID 103420391
ethyl 4-amino-2-(dimethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103420145
methyl 5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carboxylate
CID 103420356
ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
CID 103421318

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate (CID 103421006) is ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate is CCCN(CC)c1sc(C(C)=O)c(N)c1C(=O)OCC.
What is the InChIKey of ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate?
The InChIKey is MPUPRILWRYHUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-8-16(6-2)13-10(14(18)19-7-3)11(15)12(20-13)9(4)17/h5-8,15H2,1-4H3.
What are the key properties of ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate?
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 103421006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).