ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate

C15H24N2O5S — CID 139017531

IUPACethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate
SMILESCCOC(=O)C(O)C(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1
InChIInChI=1S/C15H24N2O5S/c1-6-22-15(19)14(18)11(3)16-23(20,21)12-8-7-10(2)13(9-12)17(4)5/h7-9,11,14,16,18H,6H2,1-5H3
InChIKeyNZNOJHCSOGYQJH-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.65
Rot. Bonds7

About ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate

ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate (PubChem CID 139017531) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate
PubChem CID139017531
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Nameethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate
SMILESCCOC(=O)C(O)C(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1
InChIInChI=1S/C15H24N2O5S/c1-6-22-15(19)14(18)11(3)16-23(20,21)12-8-7-10(2)13(9-12)17(4)5/h7-9,11,14,16,18H,6H2,1-5H3
InChIKeyNZNOJHCSOGYQJH-UHFFFAOYSA-N
XLogP0.65
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S,3S)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 59033490
3-(dimethylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 71911224
(2R)-4-amino-2-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-4-oxobutanoic acid
CID 167896354
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216
propyl 3-(dimethylamino)-4-methylbenzenesulfonate
CID 174903309
3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 97252121
(2S)-2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]propanoic acid
CID 120968715
(2R)-2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]propanoic acid
CID 120968800
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
ethyl 2-[(4-cyano-3-methylphenyl)sulfonylamino]propanoate
CID 106833128

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate?
The IUPAC name of ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate (CID 139017531) is ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate.
What is the SMILES notation for ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate?
The canonical SMILES for ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate is CCOC(=O)C(O)C(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1.
What is the InChIKey of ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate?
The InChIKey is NZNOJHCSOGYQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-6-22-15(19)14(18)11(3)16-23(20,21)12-8-7-10(2)13(9-12)17(4)5/h7-9,11,14,16,18H,6H2,1-5H3.
What are the key properties of ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate?
ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate has a molecular weight of 344.43 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate is sourced from PubChem (CID 139017531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).