[2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate

C16H24N2O6S — CID 57203974

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
SMILESCOc1ccc(S(=O)(=O)NCC(C)CC(=O)OCC(=O)N(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-12(9-16(20)24-11-15(19)18(2)3)10-17-25(21,22)14-7-5-13(23-4)6-8-14/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQCLOVTMUJSXALE-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.63
Rot. Bonds9

About [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate

[2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate (PubChem CID 57203974) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
PubChem CID57203974
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
SMILESCOc1ccc(S(=O)(=O)NCC(C)CC(=O)OCC(=O)N(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-12(9-16(20)24-11-15(19)18(2)3)10-17-25(21,22)14-7-5-13(23-4)6-8-14/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQCLOVTMUJSXALE-UHFFFAOYSA-N
XLogP0.63
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683360
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826725
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate (CID 57203974) is [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate is COc1ccc(S(=O)(=O)NCC(C)CC(=O)OCC(=O)N(C)C)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
The InChIKey is QCLOVTMUJSXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-12(9-16(20)24-11-15(19)18(2)3)10-17-25(21,22)14-7-5-13(23-4)6-8-14/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
[2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate has a molecular weight of 372.44 g/mol, XLogP of 0.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate is sourced from PubChem (CID 57203974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).