[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate

C19H22N2O5S — CID 4010492

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C19H22N2O5S/c1-27-11-9-16(21-18(23)14-6-3-2-4-7-14)19(24)26-13-17(22)20-12-15-8-5-10-25-15/h2-8,10,16H,9,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyDYSXYJQKMGNQEH-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.99
Rot. Bonds10

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate (PubChem CID 4010492) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
PubChem CID4010492
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C19H22N2O5S/c1-27-11-9-16(21-18(23)14-6-3-2-4-7-14)19(24)26-13-17(22)20-12-15-8-5-10-25-15/h2-8,10,16H,9,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyDYSXYJQKMGNQEH-UHFFFAOYSA-N
XLogP1.99
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate (CID 4010492) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate is CSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The InChIKey is DYSXYJQKMGNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-27-11-9-16(21-18(23)14-6-3-2-4-7-14)19(24)26-13-17(22)20-12-15-8-5-10-25-15/h2-8,10,16H,9,11-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate has a molecular weight of 390.46 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate is sourced from PubChem (CID 4010492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).