ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate

C19H16FNO4S — CID 1000643

IUPACethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccoc1C
InChIInChI=1S/C19H16FNO4S/c1-3-24-19(23)16-15(12-4-6-13(20)7-5-12)10-26-18(16)21-17(22)14-8-9-25-11(14)2/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyJCLWGYVHXWLYTK-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.88
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 1000643) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID1000643
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Nameethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccoc1C
InChIInChI=1S/C19H16FNO4S/c1-3-24-19(23)16-15(12-4-6-13(20)7-5-12)10-26-18(16)21-17(22)14-8-9-25-11(14)2/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyJCLWGYVHXWLYTK-UHFFFAOYSA-N
XLogP4.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-(aminocarbonyl)-3-methyl-5-[(2-methyl-3-furoyl)amino]thiophene-2-carboxylate
CID 903585
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 742170
Methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 1246443
Ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 2465521
Isopropyl 2-{[3-(2-furyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 897188
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-methyl-3-furoyl)amino]-3-thiophenecarboxylate
CID 1001290
4-(4-Fluorophenyl)-2-(furan-2-carboxamido)thiophene-3-carboxylic acid
CID 2059539
N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methyl-3-furamide
CID 2862590
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 868846
N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylfuran-3-carboxamide
CID 2933560
Methyl 2-(2-furoylamino)-4-phenyl-3-thiophenecarboxylate
CID 703868
(E)-ethyl 2-(3-(furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
CID 722201

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate (CID 1000643) is ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccoc1C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is JCLWGYVHXWLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-3-24-19(23)16-15(12-4-6-13(20)7-5-12)10-26-18(16)21-17(22)14-8-9-25-11(14)2/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1000643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).