methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate

C14H15NO5S — CID 650377

IUPACmethyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO5S/c1-19-14(16)11-15(10-12-6-5-9-20-12)21(17,18)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyHPDRHQFENWNGQE-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.64
Rot. Bonds6

About methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate

methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate (PubChem CID 650377) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate
PubChem CID650377
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Namemethyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO5S/c1-19-14(16)11-15(10-12-6-5-9-20-12)21(17,18)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyHPDRHQFENWNGQE-UHFFFAOYSA-N
XLogP1.64
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate (CID 650377) is methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate is COC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate?
The InChIKey is HPDRHQFENWNGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-19-14(16)11-15(10-12-6-5-9-20-12)21(17,18)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3.
What are the key properties of methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate?
methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate has a molecular weight of 309.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetate is sourced from PubChem (CID 650377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).