[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate

C17H24N2O6S — CID 8630943

IUPAC[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H24N2O6S/c1-12(20)13-6-5-7-14(10-13)26(23,24)18-9-8-16(22)25-11-15(21)19-17(2,3)4/h5-7,10,18H,8-9,11H2,1-4H3,(H,19,21)
InChIKeyIXRPOJNCOXQQLT-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.02
Rot. Bonds8

About [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate

[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate (PubChem CID 8630943) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate
PubChem CID8630943
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H24N2O6S/c1-12(20)13-6-5-7-14(10-13)26(23,24)18-9-8-16(22)25-11-15(21)19-17(2,3)4/h5-7,10,18H,8-9,11H2,1-4H3,(H,19,21)
InChIKeyIXRPOJNCOXQQLT-UHFFFAOYSA-N
XLogP1.02
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid
CID 66797539
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523494
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
[2-(2-acetylanilino)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2601036
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate (CID 8630943) is [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(C)(C)C)c1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate?
The InChIKey is IXRPOJNCOXQQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-12(20)13-6-5-7-14(10-13)26(23,24)18-9-8-16(22)25-11-15(21)19-17(2,3)4/h5-7,10,18H,8-9,11H2,1-4H3,(H,19,21).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate?
[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate has a molecular weight of 384.45 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8630943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).