[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

C21H22N2O6S — CID 31436406

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O6S/c1-23(14-18-7-4-12-28-18)20(24)15-29-21(25)10-11-22-30(26,27)19-9-8-16-5-2-3-6-17(16)13-19/h2-9,12-13,22H,10-11,14-15H2,1H3
InChIKeyVZQJVNVOFBWJPK-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.30
Rot. Bonds9

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 31436406) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID31436406
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O6S/c1-23(14-18-7-4-12-28-18)20(24)15-29-21(25)10-11-22-30(26,27)19-9-8-16-5-2-3-6-17(16)13-19/h2-9,12-13,22H,10-11,14-15H2,1H3
InChIKeyVZQJVNVOFBWJPK-UHFFFAOYSA-N
XLogP2.30
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 34872762
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147743
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16560413
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42983952
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 31436406) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is CN(Cc1ccco1)C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is VZQJVNVOFBWJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-23(14-18-7-4-12-28-18)20(24)15-29-21(25)10-11-22-30(26,27)19-9-8-16-5-2-3-6-17(16)13-19/h2-9,12-13,22H,10-11,14-15H2,1H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 430.48 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 31436406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).