3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide

C21H28N2O6S2 — CID 55464644

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O6S2/c1-5-30(26,27)17-10-11-19(24)18(14-17)23-20(25)12-13-22-31(28,29)16-8-6-15(7-9-16)21(2,3)4/h6-11,14,22,24H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyIZRNWUCUASUISW-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.79
Rot. Bonds8

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide (PubChem CID 55464644) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
PubChem CID55464644
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O6S2/c1-5-30(26,27)17-10-11-19(24)18(14-17)23-20(25)12-13-22-31(28,29)16-8-6-15(7-9-16)21(2,3)4/h6-11,14,22,24H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyIZRNWUCUASUISW-UHFFFAOYSA-N
XLogP2.79
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide 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-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 9211693
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55683955
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543914
methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate
CID 9413514
3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24540288
3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
CID 29330631
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide (CID 55464644) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
The InChIKey is IZRNWUCUASUISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-5-30(26,27)17-10-11-19(24)18(14-17)23-20(25)12-13-22-31(28,29)16-8-6-15(7-9-16)21(2,3)4/h6-11,14,22,24H,5,12-13H2,1-4H3,(H,23,25).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide has a molecular weight of 468.60 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 55464644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).