ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate

C14H22N2O3S — CID 103421370

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

About ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate

ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate (PubChem CID 103421370) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate
PubChem CID103421370
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nameethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate
SMILESCCCN(C)c1sc(C(=O)CC)c(N)c1C(=O)OCC
InChIInChI=1S/C14H22N2O3S/c1-5-8-16(4)13-10(14(18)19-7-3)11(15)12(20-13)9(17)6-2/h5-8,15H2,1-4H3
InChIKeyQRGRWFFAORBWTK-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 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate
CID 103421293
ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
CID 103421318
4-O-ethyl 2-O-methyl 3-amino-5-[butyl(methyl)amino]thiophene-2,4-dicarboxylate
CID 103420391
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
CID 103421006
methyl 4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103509440
ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate
CID 103424394
ethyl 4-amino-5-carbamoyl-2-[methyl(2-methylpropyl)amino]thiophene-3-carboxylate
CID 103421193
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
methyl 5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carboxylate
CID 103420356
ethyl 4-amino-2-(dimethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103420145
ethyl 4-amino-2-(pentan-3-ylamino)-5-propanoylthiophene-3-carboxylate
CID 103424125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate (CID 103421370) is ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate is CCCN(C)c1sc(C(=O)CC)c(N)c1C(=O)OCC.
What is the InChIKey of ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate?
The InChIKey is QRGRWFFAORBWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-8-16(4)13-10(14(18)19-7-3)11(15)12(20-13)9(17)6-2/h5-8,15H2,1-4H3.
What are the key properties of ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate?
ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-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 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate is sourced from PubChem (CID 103421370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).