ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate

C17H20N2O5S — CID 1001290

IUPACethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C17H20N2O5S/c1-6-23-17(22)12-9(2)13(16(21)19(4)5)25-15(12)18-14(20)11-7-8-24-10(11)3/h7-8H,6H2,1-5H3,(H,18,20)
InChIKeyYMGGPJLYJPAEMX-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.09
Rot. Bonds5

About ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate

ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 1001290) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID1001290
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C17H20N2O5S/c1-6-23-17(22)12-9(2)13(16(21)19(4)5)25-15(12)18-14(20)11-7-8-24-10(11)3/h7-8H,6H2,1-5H3,(H,18,20)
InChIKeyYMGGPJLYJPAEMX-UHFFFAOYSA-N
XLogP3.09
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(aminocarbonyl)-3-methyl-5-[(2-methyl-3-furoyl)amino]thiophene-2-carboxylate
CID 903585
Methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 1246443
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
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-{[(4-chlorophenyl)amino]carbonyl}-2-[(2,5-dimethyl-3-furoyl)amino]-4-methyl-3-thiophenecarboxylate
CID 1226259
Methyl 2-[(5-bromo-2-furoyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
CID 1294670
N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide
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 ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate (CID 1001290) is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is YMGGPJLYJPAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-6-23-17(22)12-9(2)13(16(21)19(4)5)25-15(12)18-14(20)11-7-8-24-10(11)3/h7-8H,6H2,1-5H3,(H,18,20).
What are the key properties of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1001290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).