ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate

C19H16ClNO5S — CID 3430221

IUPACethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H16ClNO5S/c1-2-24-19(23)17-12(14-8-5-9-25-14)11-27-18(17)21-16(22)10-26-15-7-4-3-6-13(15)20/h3-9,11H,2,10H2,1H3,(H,21,22)
InChIKeyYCFUPGQADPYESB-UHFFFAOYSA-N
MW405.86 g/mol
LogP4.86
Rot. Bonds7

About ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate

ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate (PubChem CID 3430221) has the molecular formula C19H16ClNO5S and a molecular weight of 405.86 g/mol. Its IUPAC name is ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
PubChem CID3430221
Molecular FormulaC19H16ClNO5S
Molecular Weight405.86 g/mol
Exact Mass405.04
IUPAC Nameethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H16ClNO5S/c1-2-24-19(23)17-12(14-8-5-9-25-14)11-27-18(17)21-16(22)10-26-15-7-4-3-6-13(15)20/h3-9,11H,2,10H2,1H3,(H,21,22)
InChIKeyYCFUPGQADPYESB-UHFFFAOYSA-N
XLogP4.86
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477607
ethyl 4-(furan-2-yl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 4793962
ethyl 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 7834644
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2382749
ethyl 4-(furan-2-yl)-2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7778424
ethyl 2-[[2-[2-[(2,4-dichlorobenzoyl)amino]acetyl]oxyacetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 16533942
ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 2809305
ethyl 2-[[2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 7949098
ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605169
ethyl 4-(4-chlorophenyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 987083
ethyl 4-(furan-2-yl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 55550625

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate (CID 3430221) is ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccccc1Cl.
What is the InChIKey of ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
The InChIKey is YCFUPGQADPYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5S/c1-2-24-19(23)17-12(14-8-5-9-25-14)11-27-18(17)21-16(22)10-26-15-7-4-3-6-13(15)20/h3-9,11H,2,10H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate has a molecular weight of 405.86 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 3430221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).