methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate

C19H23NO6S — CID 32933113

IUPACmethyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)o1
InChIInChI=1S/C19H23NO6S/c1-10-11(2)27-15(20-18(23)19(3,4)5)14(10)17(22)25-9-12-7-8-13(26-12)16(21)24-6/h7-8H,9H2,1-6H3,(H,20,23)
InChIKeySGLDIKZCVQZSBV-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.09
Rot. Bonds5

About methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate (PubChem CID 32933113) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate
PubChem CID32933113
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Namemethyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)o1
InChIInChI=1S/C19H23NO6S/c1-10-11(2)27-15(20-18(23)19(3,4)5)14(10)17(22)25-9-12-7-8-13(26-12)16(21)24-6/h7-8H,9H2,1-6H3,(H,20,23)
InChIKeySGLDIKZCVQZSBV-UHFFFAOYSA-N
XLogP4.09
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

(6-chloro-3-pyridinyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 31057220
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 46819438
[2-(4-methylphenyl)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 33068928
methyl 2-[(3-amino-2,2-dimethylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 115426626
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 27541612
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 896051
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 26171042
ethyl 2-(2,2-dimethylpropanoylamino)-5-methyl-4-phenylthiophene-3-carboxylate
CID 733884
ethyl 2-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19417005
methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
CID 8666323
ethyl 2-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19463739

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate (CID 32933113) is methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)o1.
What is the InChIKey of methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate?
The InChIKey is SGLDIKZCVQZSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-10-11(2)27-15(20-18(23)19(3,4)5)14(10)17(22)25-9-12-7-8-13(26-12)16(21)24-6/h7-8H,9H2,1-6H3,(H,20,23).
What are the key properties of methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate has a molecular weight of 393.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 32933113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).