[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C16H18N2O6S — CID 2455525

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O6S/c1-12-4-6-14(7-5-12)25(21,22)18-10-16(20)24-11-15(19)17-9-13-3-2-8-23-13/h2-8,18H,9-11H2,1H3,(H,17,19)
InChIKeyKMAGETLQGFLGMN-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.73
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2455525) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2455525
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O6S/c1-12-4-6-14(7-5-12)25(21,22)18-10-16(20)24-11-15(19)17-9-13-3-2-8-23-13/h2-8,18H,9-11H2,1H3,(H,17,19)
InChIKeyKMAGETLQGFLGMN-UHFFFAOYSA-N
XLogP0.73
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.73
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-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2455525) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is KMAGETLQGFLGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-12-4-6-14(7-5-12)25(21,22)18-10-16(20)24-11-15(19)17-9-13-3-2-8-23-13/h2-8,18H,9-11H2,1H3,(H,17,19).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 366.40 g/mol, XLogP of 0.73, 8 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-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2455525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).