[2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate

C24H24N2O7S — CID 4847643

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)O)c1
InChIInChI=1S/C24H24N2O7S/c1-15(27)18-8-5-9-20(12-18)25-22(29)14-33-24(30)23(16(2)28)26-34(31,32)21-11-10-17-6-3-4-7-19(17)13-21/h3-13,16,23,26,28H,14H2,1-2H3,(H,25,29)
InChIKeySWJDUSGSRSVWRC-UHFFFAOYSA-N
MW484.53 g/mol
LogP2.25
Rot. Bonds9

About [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate

[2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate (PubChem CID 4847643) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate
PubChem CID4847643
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)O)c1
InChIInChI=1S/C24H24N2O7S/c1-15(27)18-8-5-9-20(12-18)25-22(29)14-33-24(30)23(16(2)28)26-34(31,32)21-11-10-17-6-3-4-7-19(17)13-21/h3-13,16,23,26,28H,14H2,1-2H3,(H,25,29)
InChIKeySWJDUSGSRSVWRC-UHFFFAOYSA-N
XLogP2.25
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate with MolForge

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928378
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928416
N-(3-acetylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1314176
N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide
CID 42892638
methyl 3-[[2-[2-[(4-methoxyphenyl)sulfonylamino]propanoyloxy]acetyl]amino]benzoate
CID 55323585
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124
[2-(3,4-dimethylanilino)-2-oxoethyl] (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2429146
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927313
[2-(3,4-diethoxyanilino)-2-oxoethyl] (2S,3R)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 41187847

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate (CID 4847643) is [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate is CC(=O)c1cccc(NC(=O)COC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)O)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate?
The InChIKey is SWJDUSGSRSVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-15(27)18-8-5-9-20(12-18)25-22(29)14-33-24(30)23(16(2)28)26-34(31,32)21-11-10-17-6-3-4-7-19(17)13-21/h3-13,16,23,26,28H,14H2,1-2H3,(H,25,29).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate?
[2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate has a molecular weight of 484.53 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate is sourced from PubChem (CID 4847643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).