[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate

C24H30N2O6S — CID 24686731

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C24H30N2O6S/c1-18(27)20-10-12-21(13-11-20)33(30,31)25-15-14-23(29)32-17-22(28)26(24(2,3)4)16-19-8-6-5-7-9-19/h5-13,25H,14-17H2,1-4H3
InChIKeyUZVXQZDDTPBVBF-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.93
Rot. Bonds10

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate (PubChem CID 24686731) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
PubChem CID24686731
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C24H30N2O6S/c1-18(27)20-10-12-21(13-11-20)33(30,31)25-15-14-23(29)32-17-22(28)26(24(2,3)4)16-19-8-6-5-7-9-19/h5-13,25H,14-17H2,1-4H3
InChIKeyUZVXQZDDTPBVBF-UHFFFAOYSA-N
XLogP2.93
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
3-[(4-acetylphenyl)sulfonylamino]-N-(1-benzylpiperidin-4-yl)propanamide;oxalic acid
CID 16293164
Copper(2+) ion 2-[(carboxylatomethyl)[(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)methyl]amino]acetate
CID 91895866
Copper(2+) ion 2-{2-carboxylato-12-[(4-sulfamoylphenyl)formamido]-1,7,10-trioxa-4-azadodec-1-en-4-yl}acetate
CID 91895868
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 2998789
[2-(Benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate
CID 2999757
N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
CID 6602988
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 16281737
N-(1,2-diphenylethyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
CID 16291449

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate (CID 24686731) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The InChIKey is UZVXQZDDTPBVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-18(27)20-10-12-21(13-11-20)33(30,31)25-15-14-23(29)32-17-22(28)26(24(2,3)4)16-19-8-6-5-7-9-19/h5-13,25H,14-17H2,1-4H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate has a molecular weight of 474.58 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 24686731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).