diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

C17H26N2O5S — CID 1182908

IUPACdiethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN(CC)CC)c(C(=O)OCC)c1C
InChIInChI=1S/C17H26N2O5S/c1-6-19(7-2)10-12(20)18-15-13(16(21)23-8-3)11(5)14(25-15)17(22)24-9-4/h6-10H2,1-5H3,(H,18,20)
InChIKeyKMIGQOMROUZLBU-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.69
Rot. Bonds9

About diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 1182908) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID1182908
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Namediethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN(CC)CC)c(C(=O)OCC)c1C
InChIInChI=1S/C17H26N2O5S/c1-6-19(7-2)10-12(20)18-15-13(16(21)23-8-3)11(5)14(25-15)17(22)24-9-4/h6-10H2,1-5H3,(H,18,20)
InChIKeyKMIGQOMROUZLBU-UHFFFAOYSA-N
XLogP2.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Ethyl 2-{[(tert-butylamino)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 2810964
Dimethyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate
CID 662211
ethyl 2-[(N-butylglycyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1657161
2-Methyl 4-propyl 3-methyl-5-[(tetrahydro-2-furanylcarbonyl)amino]-2,4-thiophenedicarboxylate
CID 4162216
Ethyl 2-amino-5-(1-azepanylcarbonyl)-4-methyl-3-thiophenecarboxylate
CID 774300
Ethyl 2-(ethoxycarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 896721
Diethyl 3-methyl-5-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
CID 1115164
Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate
CID 1183193

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 1182908) is diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)CN(CC)CC)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is KMIGQOMROUZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-6-19(7-2)10-12(20)18-15-13(16(21)23-8-3)11(5)14(25-15)17(22)24-9-4/h6-10H2,1-5H3,(H,18,20).
What are the key properties of diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 370.47 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[[2-(diethylamino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 1182908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).