[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

C24H22N2O3S — CID 2394622

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
SMILESCCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1cccc2ccccc12
InChIInChI=1S/C24H22N2O3S/c1-2-26(20-12-7-9-17-8-3-4-10-18(17)20)23(27)16-29-24(28)15-14-22-25-19-11-5-6-13-21(19)30-22/h3-13H,2,14-16H2,1H3
InChIKeyZFJUCFPMAUOJTN-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.98
Rot. Bonds7

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate (PubChem CID 2394622) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
PubChem CID2394622
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
SMILESCCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1cccc2ccccc12
InChIInChI=1S/C24H22N2O3S/c1-2-26(20-12-7-9-17-8-3-4-10-18(17)20)23(27)16-29-24(28)15-14-22-25-19-11-5-6-13-21(19)30-22/h3-13H,2,14-16H2,1H3
InChIKeyZFJUCFPMAUOJTN-UHFFFAOYSA-N
XLogP4.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673253
[2-(butan-2-ylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 3549081
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 8907407
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29142245
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476273
[2-(3-bromophenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 7847035
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 8907009
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 28585999
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2360510
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2438132
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519656
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate (CID 2394622) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate is CCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate?
The InChIKey is ZFJUCFPMAUOJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-2-26(20-12-7-9-17-8-3-4-10-18(17)20)23(27)16-29-24(28)15-14-22-25-19-11-5-6-13-21(19)30-22/h3-13H,2,14-16H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate has a molecular weight of 418.52 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate is sourced from PubChem (CID 2394622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).