ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate

C21H23NO5S — CID 8800536

IUPACethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CSc2ccc3c(c2)CCC3)oc(C)c1C(C)=O
InChIInChI=1S/C21H23NO5S/c1-4-26-21(25)19-18(12(2)23)13(3)27-20(19)22-17(24)11-28-16-9-8-14-6-5-7-15(14)10-16/h8-10H,4-7,11H2,1-3H3,(H,22,24)
InChIKeyUYCDGPZQEPFZDU-UHFFFAOYSA-N
MW401.48 g/mol
LogP4.19
Rot. Bonds7

About ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 8800536) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID8800536
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC Nameethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CSc2ccc3c(c2)CCC3)oc(C)c1C(C)=O
InChIInChI=1S/C21H23NO5S/c1-4-26-21(25)19-18(12(2)23)13(3)27-20(19)22-17(24)11-28-16-9-8-14-6-5-7-15(14)10-16/h8-10H,4-7,11H2,1-3H3,(H,22,24)
InChIKeyUYCDGPZQEPFZDU-UHFFFAOYSA-N
XLogP4.19
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-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

ethyl 4-acetyl-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-5-methylfuran-3-carboxylate
CID 8600996
ethyl 4-acetyl-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate
CID 4809351
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-methylbenzoate
CID 35250339
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate
CID 108802798
ethyl 4-acetyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-5-methylfuran-3-carboxylate
CID 40856188
ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate
CID 8557699
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide
CID 86970630

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate (CID 8800536) is ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)CSc2ccc3c(c2)CCC3)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is UYCDGPZQEPFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5S/c1-4-26-21(25)19-18(12(2)23)13(3)27-20(19)22-17(24)11-28-16-9-8-14-6-5-7-15(14)10-16/h8-10H,4-7,11H2,1-3H3,(H,22,24).
What are the key properties of ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 401.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 8800536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).