[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C23H24N2O5S — CID 18268897

IUPAC[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-16-8-12-21(13-9-16)31(28,29)25(3)15-22(26)30-17(2)23(27)24-20-11-10-18-6-4-5-7-19(18)14-20/h4-14,17H,15H2,1-3H3,(H,24,27)
InChIKeyVSNPWLQPTQNPSU-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.34
Rot. Bonds7

About [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 18268897) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID18268897
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-16-8-12-21(13-9-16)31(28,29)25(3)15-22(26)30-17(2)23(27)24-20-11-10-18-6-4-5-7-19(18)14-20/h4-14,17H,15H2,1-3H3,(H,24,27)
InChIKeyVSNPWLQPTQNPSU-UHFFFAOYSA-N
XLogP3.34
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate
CID 9309341
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55357491
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 4843086
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 51438927
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972159
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 9455488
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 42903630
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 40647565
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55547178
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 8949896

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 18268897) is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is VSNPWLQPTQNPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16-8-12-21(13-9-16)31(28,29)25(3)15-22(26)30-17(2)23(27)24-20-11-10-18-6-4-5-7-19(18)14-20/h4-14,17H,15H2,1-3H3,(H,24,27).
What are the key properties of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 440.52 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 18268897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).