2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide

C19H16N2O6S2 — CID 4993403

IUPAC2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)NN1S(=O)(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H16N2O6S2/c1-13(27-16-10-6-8-14-7-2-3-9-15(14)16)19(22)20-21-28(23,24)17-11-4-5-12-18(17)29(21,25)26/h2-13H,1H3,(H,20,22)
InChIKeyZYNMLWVSXRYSTI-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.03
Rot. Bonds4

About 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide

2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide (PubChem CID 4993403) has the molecular formula C19H16N2O6S2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide
PubChem CID4993403
Molecular FormulaC19H16N2O6S2
Molecular Weight432.48 g/mol
Exact Mass432.04
IUPAC Name2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)NN1S(=O)(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H16N2O6S2/c1-13(27-16-10-6-8-14-7-2-3-9-15(14)16)19(22)20-21-28(23,24)17-11-4-5-12-18(17)29(21,25)26/h2-13H,1H3,(H,20,22)
InChIKeyZYNMLWVSXRYSTI-UHFFFAOYSA-N
XLogP2.03
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
CID 119049617
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28569351
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633960
(2R)-N-[3-(methoxymethyl)phenyl]-2-naphthalen-1-yloxypropanamide
CID 99840317
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide (CID 4993403) is 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide is CC(Oc1cccc2ccccc12)C(=O)NN1S(=O)(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide?
The InChIKey is ZYNMLWVSXRYSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S2/c1-13(27-16-10-6-8-14-7-2-3-9-15(14)16)19(22)20-21-28(23,24)17-11-4-5-12-18(17)29(21,25)26/h2-13H,1H3,(H,20,22).
What are the key properties of 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide?
2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide has a molecular weight of 432.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide is sourced from PubChem (CID 4993403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).