[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C25H26N2O6S — CID 55404094

IUPAC[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)c2cccc3ccccc23)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C25H26N2O6S/c1-16(20-9-5-7-17-6-3-4-8-21(17)20)26-24(28)15-33-25(29)18-10-13-22(32-2)23(14-18)34(30,31)27-19-11-12-19/h3-10,13-14,16,19,27H,11-12,15H2,1-2H3,(H,26,28)
InChIKeyCVTZCOLTHZLOSI-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.32
Rot. Bonds9

About [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 55404094) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID55404094
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)c2cccc3ccccc23)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C25H26N2O6S/c1-16(20-9-5-7-17-6-3-4-8-21(17)20)26-24(28)15-33-25(29)18-10-13-22(32-2)23(14-18)34(30,31)27-19-11-12-19/h3-10,13-14,16,19,27H,11-12,15H2,1-2H3,(H,26,28)
InChIKeyCVTZCOLTHZLOSI-UHFFFAOYSA-N
XLogP3.32
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate with MolForge

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 55402128
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16560992
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-chlorobenzoate
CID 55397519
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519331
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203454
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
[2-(1-adamantyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702712

Frequently Asked Questions

What is the IUPAC name of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 55404094) is [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC(C)c2cccc3ccccc23)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is CVTZCOLTHZLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-16(20-9-5-7-17-6-3-4-8-21(17)20)26-24(28)15-33-25(29)18-10-13-22(32-2)23(14-18)34(30,31)27-19-11-12-19/h3-10,13-14,16,19,27H,11-12,15H2,1-2H3,(H,26,28).
What are the key properties of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 482.56 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 55404094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).