ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate

C18H15ClN2O4S — CID 2809305

IUPACethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O4S/c1-2-24-17(22)15-13(14-4-3-9-25-14)10-26-16(15)21-18(23)20-12-7-5-11(19)6-8-12/h3-10H,2H2,1H3,(H2,20,21,23)
InChIKeyNVVUZLNPMYOMQV-UHFFFAOYSA-N
MW390.85 g/mol
LogP5.48
Rot. Bonds5

About ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate

ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate (PubChem CID 2809305) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate
PubChem CID2809305
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC Nameethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O4S/c1-2-24-17(22)15-13(14-4-3-9-25-14)10-26-16(15)21-18(23)20-12-7-5-11(19)6-8-12/h3-10H,2H2,1H3,(H2,20,21,23)
InChIKeyNVVUZLNPMYOMQV-UHFFFAOYSA-N
XLogP5.48
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.85
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221
ethyl 2-[[2-[2-[(2,4-dichlorobenzoyl)amino]acetyl]oxyacetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 16533942
diethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 4564046
ethyl 4-(furan-2-yl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 55550625
ethyl 4-(furan-2-yl)-2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7778424
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477607
ethyl 4-(4-chlorophenyl)-2-[3-(furan-2-yl)prop-2-enoylamino]thiophene-3-carboxylate
CID 1186696
ethyl 4-(furan-2-yl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 7499713
ethyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 55498418
ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate
CID 112771105
ethyl 4-(furan-2-yl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 4793962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate (CID 2809305) is ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate?
The InChIKey is NVVUZLNPMYOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-2-24-17(22)15-13(14-4-3-9-25-14)10-26-16(15)21-18(23)20-12-7-5-11(19)6-8-12/h3-10H,2H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate?
ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate has a molecular weight of 390.85 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 2809305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).