ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate

C19H16N2O7S — CID 1014924

IUPACethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O7S/c1-3-27-19(23)16-12(14-5-4-8-28-14)10-29-18(16)20-17(22)11-6-7-15(26-2)13(9-11)21(24)25/h4-10H,3H2,1-2H3,(H,20,22)
InChIKeyUBTMHUHQGPUAFM-UHFFFAOYSA-N
MW416.41 g/mol
LogP4.35
Rot. Bonds7

About ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate

ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate (PubChem CID 1014924) has the molecular formula C19H16N2O7S and a molecular weight of 416.41 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate
PubChem CID1014924
Molecular FormulaC19H16N2O7S
Molecular Weight416.41 g/mol
Exact Mass416.07
IUPAC Nameethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O7S/c1-3-27-19(23)16-12(14-5-4-8-28-14)10-29-18(16)20-17(22)11-6-7-15(26-2)13(9-11)21(24)25/h4-10H,3H2,1-2H3,(H,20,22)
InChIKeyUBTMHUHQGPUAFM-UHFFFAOYSA-N
XLogP4.35
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(furan-2-yl)-2-[[2-(3-methyl-4-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 16958710
3-O-[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate
CID 16796644
ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893
ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1038260
ethyl 4-(furan-2-yl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 4793962
ethyl 4-(furan-2-yl)-2-[[(2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoyl]amino]thiophene-3-carboxylate
CID 55942796
ethyl 4-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 1229733
ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 5132858
ethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 110496180
ethyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 55498418
methyl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 4190885
ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 2809305

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate (CID 1014924) is ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is UBTMHUHQGPUAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O7S/c1-3-27-19(23)16-12(14-5-4-8-28-14)10-29-18(16)20-17(22)11-6-7-15(26-2)13(9-11)21(24)25/h4-10H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate?
ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 416.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1014924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).