[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

C26H28N2O6S — CID 16525951

IUPAC[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)OC(C)C(=O)Nc3cccc4ccccc34)c2)CC(C)O1
InChIInChI=1S/C26H28N2O6S/c1-17-15-28(16-18(2)33-17)35(31,32)22-11-6-10-21(14-22)26(30)34-19(3)25(29)27-24-13-7-9-20-8-4-5-12-23(20)24/h4-14,17-19H,15-16H2,1-3H3,(H,27,29)
InChIKeySDNDDQKFIIEHAC-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.82
Rot. Bonds6

About [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate (PubChem CID 16525951) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate.

Molecular Properties

Compound Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
PubChem CID16525951
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)OC(C)C(=O)Nc3cccc4ccccc34)c2)CC(C)O1
InChIInChI=1S/C26H28N2O6S/c1-17-15-28(16-18(2)33-17)35(31,32)22-11-6-10-21(14-22)26(30)34-19(3)25(29)27-24-13-7-9-20-8-4-5-12-23(20)24/h4-14,17-19H,15-16H2,1-3H3,(H,27,29)
InChIKeySDNDDQKFIIEHAC-UHFFFAOYSA-N
XLogP3.82
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 99852184
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 41152208
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16560470
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 55314455
[(1S)-2-oxo-1,2-diphenylethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 25398309
[(1S)-2-oxo-1,2-diphenylethyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 51695432
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7418317
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545052
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 43014908
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8012509
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate (CID 16525951) is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate.
What is the SMILES notation for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The canonical SMILES for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate is CC1CN(S(=O)(=O)c2cccc(C(=O)OC(C)C(=O)Nc3cccc4ccccc34)c2)CC(C)O1.
What is the InChIKey of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The InChIKey is SDNDDQKFIIEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-17-15-28(16-18(2)33-17)35(31,32)22-11-6-10-21(14-22)26(30)34-19(3)25(29)27-24-13-7-9-20-8-4-5-12-23(20)24/h4-14,17-19H,15-16H2,1-3H3,(H,27,29).
What are the key properties of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate has a molecular weight of 496.59 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate is sourced from PubChem (CID 16525951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).