ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate

C14H22N2O3S — CID 103423873

IUPACethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NCC(C)C)sc(C(=O)CC)c1N
InChIInChI=1S/C14H22N2O3S/c1-5-9(17)12-11(15)10(14(18)19-6-2)13(20-12)16-7-8(3)4/h8,16H,5-7,15H2,1-4H3
InChIKeySULYRFPXTPCILH-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.17
Rot. Bonds7

About ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate

ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate (PubChem CID 103423873) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate
PubChem CID103423873
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nameethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NCC(C)C)sc(C(=O)CC)c1N
InChIInChI=1S/C14H22N2O3S/c1-5-9(17)12-11(15)10(14(18)19-6-2)13(20-12)16-7-8(3)4/h8,16H,5-7,15H2,1-4H3
InChIKeySULYRFPXTPCILH-UHFFFAOYSA-N
XLogP3.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-(pentan-3-ylamino)-5-propanoylthiophene-3-carboxylate
CID 103424125
ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate
CID 103424394
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
ethyl 4-amino-5-carbamoyl-2-(4-methylpentylamino)thiophene-3-carboxylate
CID 103506996
diethyl 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarboxylate
CID 103423559
ethyl 5-acetyl-4-amino-2-(2-methylprop-2-enylamino)thiophene-3-carboxylate
CID 103507347
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
methyl 4-amino-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxylate
CID 103510086
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423779
ethyl 3-amino-5-(2,2-difluoroethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103505715
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate (CID 103423873) is ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate is CCOC(=O)c1c(NCC(C)C)sc(C(=O)CC)c1N.
What is the InChIKey of ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate?
The InChIKey is SULYRFPXTPCILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-9(17)12-11(15)10(14(18)19-6-2)13(20-12)16-7-8(3)4/h8,16H,5-7,15H2,1-4H3.
What are the key properties of ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate?
ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate is sourced from PubChem (CID 103423873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).