ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

C20H25N3O5S — CID 2465521

IUPACethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C20H25N3O5S/c1-3-27-20(26)17-14(15-5-4-12(2)28-15)11-29-19(17)22-16(24)10-23-8-6-13(7-9-23)18(21)25/h4-5,11,13H,3,6-10H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyUDNJLAGKIFBEDG-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.63
Rot. Bonds7

About ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate (PubChem CID 2465521) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
PubChem CID2465521
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Nameethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C20H25N3O5S/c1-3-27-20(26)17-14(15-5-4-12(2)28-15)11-29-19(17)22-16(24)10-23-8-6-13(7-9-23)18(21)25/h4-5,11,13H,3,6-10H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyUDNJLAGKIFBEDG-UHFFFAOYSA-N
XLogP2.63
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 742170
Glx351322
CID 2697686
2-{3-[(Furan-2-ylmethyl)-carbamoyl]-propionylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
CID 651229
Ethyl 2-(3-(5-ethylfuran-2-yl)propanamido)-4,5-dimethylthiophene-3-carboxylate
CID 943143
Ethyl 2-{[(4-ethyl-1-piperazinyl)acetyl]amino}-4-(5-methyl-2-furyl)-3-thiophenecarboxylate
CID 1186215
ethyl 2-{[N-(2-furylmethyl)glycyl]amino}-4-(4-methoxyphenyl)-3-thiophenecarboxylate
CID 1251184
Ethyl 2-(dimethylcarbamoylcarbamothioylamino)-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 1251205
4-(5-Methyl-2-furanyl)-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 1276757
Ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate
CID 2096414
Methyl 4,5-dimethyl-2-(3-(5-methylfuran-2-yl)propanamido)thiophene-3-carboxylate
CID 2237100
2-[[[[(4-Fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester
CID 2411948
Ethyl 4-(5-methylfuran-2-yl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate
CID 2411949

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate (CID 2465521) is ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate?
The InChIKey is UDNJLAGKIFBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-27-20(26)17-14(15-5-4-12(2)28-15)11-29-19(17)22-16(24)10-23-8-6-13(7-9-23)18(21)25/h4-5,11,13H,3,6-10H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate?
ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 2465521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).