[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C20H26N2O5S — CID 2499614

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C20H26N2O5S/c1-14(2)22(15(3)4)19(23)13-27-20(24)12-21-28(25,26)18-10-9-16-7-5-6-8-17(16)11-18/h5-11,14-15,21H,12-13H2,1-4H3
InChIKeyOSNFSKPTAVMHMD-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.31
Rot. Bonds8

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 2499614) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID2499614
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C20H26N2O5S/c1-14(2)22(15(3)4)19(23)13-27-20(24)12-21-28(25,26)18-10-9-16-7-5-6-8-17(16)11-18/h5-11,14-15,21H,12-13H2,1-4H3
InChIKeyOSNFSKPTAVMHMD-UHFFFAOYSA-N
XLogP2.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499700
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906483
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906485
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 18775480
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906445
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954284
[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2503577
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499682

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 2499614) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is CC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is OSNFSKPTAVMHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(2)22(15(3)4)19(23)13-27-20(24)12-21-28(25,26)18-10-9-16-7-5-6-8-17(16)11-18/h5-11,14-15,21H,12-13H2,1-4H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 406.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 2499614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).