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

C19H23NO6S — CID 1008608

IUPACdipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
SMILESCc1occc1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C19H23NO6S/c1-9(2)25-18(22)14-11(5)15(19(23)26-10(3)4)27-17(14)20-16(21)13-7-8-24-12(13)6/h7-10H,1-6H3,(H,20,21)
InChIKeyKFHXNMOKKWVZDV-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.34
Rot. Bonds6

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

dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate (PubChem CID 1008608) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
PubChem CID1008608
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Namedipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
SMILESCc1occc1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C19H23NO6S/c1-9(2)25-18(22)14-11(5)15(19(23)26-10(3)4)27-17(14)20-16(21)13-7-8-24-12(13)6/h7-10H,1-6H3,(H,20,21)
InChIKeyKFHXNMOKKWVZDV-UHFFFAOYSA-N
XLogP4.34
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The IUPAC name of dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate (CID 1008608) is dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The canonical SMILES for dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate is Cc1occc1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The InChIKey is KFHXNMOKKWVZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-9(2)25-18(22)14-11(5)15(19(23)26-10(3)4)27-17(14)20-16(21)13-7-8-24-12(13)6/h7-10H,1-6H3,(H,20,21).
What are the key properties of dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate has a molecular weight of 393.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 3-methyl-5-[(2-methylfuran-3-carbonyl)amino]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 1008608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).