[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate

C24H26N2O5S — CID 55552742

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O5S/c1-3-15-32(29,30)25-20-12-7-11-19(16-20)24(28)31-17-23(27)26(4-2)22-14-8-10-18-9-5-6-13-21(18)22/h5-14,16,25H,3-4,15,17H2,1-2H3
InChIKeyGOHKFTLSFYQMHR-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.20
Rot. Bonds9

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate (PubChem CID 55552742) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
PubChem CID55552742
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O5S/c1-3-15-32(29,30)25-20-12-7-11-19(16-20)24(28)31-17-23(27)26(4-2)22-14-8-10-18-9-5-6-13-21(18)22/h5-14,16,25H,3-4,15,17H2,1-2H3
InChIKeyGOHKFTLSFYQMHR-UHFFFAOYSA-N
XLogP4.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545199
[2-(4-chloroanilino)-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55552969
(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate
CID 55553184
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(propylsulfonylamino)benzoate
CID 55553637
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 51933163
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 27561308
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988393
N-phenylmethoxy-3-(propylsulfonylamino)benzamide
CID 32581421
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 18127905

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate (CID 55552742) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate is CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)c1.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
The InChIKey is GOHKFTLSFYQMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-3-15-32(29,30)25-20-12-7-11-19(16-20)24(28)31-17-23(27)26(4-2)22-14-8-10-18-9-5-6-13-21(18)22/h5-14,16,25H,3-4,15,17H2,1-2H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate has a molecular weight of 454.55 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 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-(propylsulfonylamino)benzoate is sourced from PubChem (CID 55552742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).