N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide

C17H24N2O5S — CID 143618371

IUPACN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)/C(O)=C/C(N)=N/C(=O)C(C)(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H24N2O5S/c1-16(2,3)13(21)10-14(18)19-15(22)17(4,5)25(23,24)12-8-6-11(20)7-9-12/h6-10,20-21H,1-5H3,(H2,18,19,22)/b13-10-
InChIKeyCQUADBUXARMNFX-RAXLEYEMSA-N
MW368.46 g/mol
LogP2.32
Rot. Bonds4

About N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide

N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide (PubChem CID 143618371) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide
PubChem CID143618371
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)/C(O)=C/C(N)=N/C(=O)C(C)(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H24N2O5S/c1-16(2,3)13(21)10-14(18)19-15(22)17(4,5)25(23,24)12-8-6-11(20)7-9-12/h6-10,20-21H,1-5H3,(H2,18,19,22)/b13-10-
InChIKeyCQUADBUXARMNFX-RAXLEYEMSA-N
XLogP2.32
TPSA130.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide (CID 143618371) is N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide is CC(C)(C)/C(O)=C/C(N)=N/C(=O)C(C)(C)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is CQUADBUXARMNFX-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-16(2,3)13(21)10-14(18)19-15(22)17(4,5)25(23,24)12-8-6-11(20)7-9-12/h6-10,20-21H,1-5H3,(H2,18,19,22)/b13-10-.
What are the key properties of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide?
N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 368.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-hydroxyphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 143618371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).