diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate

C17H19NO6S — CID 1008771

IUPACdiethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccoc2C)c(C(=O)OCC)c1C
InChIInChI=1S/C17H19NO6S/c1-5-22-16(20)12-9(3)13(17(21)23-6-2)25-15(12)18-14(19)11-7-8-24-10(11)4/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyRBGFWBCVLKQVMN-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.56
Rot. Bonds6

About diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate

diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate (PubChem CID 1008771) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
PubChem CID1008771
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namediethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccoc2C)c(C(=O)OCC)c1C
InChIInChI=1S/C17H19NO6S/c1-5-22-16(20)12-9(3)13(17(21)23-6-2)25-15(12)18-14(19)11-7-8-24-10(11)4/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyRBGFWBCVLKQVMN-UHFFFAOYSA-N
XLogP3.56
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-(aminocarbonyl)-3-methyl-5-[(2-methyl-3-furoyl)amino]thiophene-2-carboxylate
CID 903585
Methyl 2-(2-furylcarbonylamino)-5-methylthiophene-3-carboxylate
CID 1246438
Methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 1246443
Isopropyl 2-{[3-(2-furyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 897188
Methyl 5-[(dimethylamino)carbonyl]-2-(2-furoylamino)-4-methyl-3-thiophenecarboxylate
CID 903699
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-methyl-3-furoyl)amino]-3-thiophenecarboxylate
CID 1001290
Ethyl 5-{[(4-chlorophenyl)amino]carbonyl}-2-[(2,5-dimethyl-3-furoyl)amino]-4-methyl-3-thiophenecarboxylate
CID 1226259
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
2-[(Furan-2-carbonyl)-amino]-4-methyl-5-(pyrrolidine-1-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 644777
(E)-ethyl 2-(3-(furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
CID 722201
Methyl 2-(2-furoylamino)-4,5-dimethyl-3-thiophenecarboxylate
CID 726998

Frequently Asked Questions

What is the IUPAC name of diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate (CID 1008771) is diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)c2ccoc2C)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The InChIKey is RBGFWBCVLKQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-5-22-16(20)12-9(3)13(17(21)23-6-2)25-15(12)18-14(19)11-7-8-24-10(11)4/h7-8H,5-6H2,1-4H3,(H,18,19).
What are the key properties of diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate has a molecular weight of 365.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 1008771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).