2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide

C18H21N3O4S — CID 135557531

IUPAC2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)CNS(=O)(=O)c1ccccc1)c1cc(C)ccc1O
InChIInChI=1S/C18H21N3O4S/c1-3-16(15-11-13(2)9-10-17(15)22)20-21-18(23)12-19-26(24,25)14-7-5-4-6-8-14/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)/b20-16+
InChIKeyRDRFMNOPVJYKEY-CAPFRKAQSA-N
MW375.45 g/mol
LogP1.91
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide

2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide (PubChem CID 135557531) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide
PubChem CID135557531
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)CNS(=O)(=O)c1ccccc1)c1cc(C)ccc1O
InChIInChI=1S/C18H21N3O4S/c1-3-16(15-11-13(2)9-10-17(15)22)20-21-18(23)12-19-26(24,25)14-7-5-4-6-8-14/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)/b20-16+
InChIKeyRDRFMNOPVJYKEY-CAPFRKAQSA-N
XLogP1.91
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide
CID 9236234
N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767867
2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide
CID 9237180
2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136678607
2-(benzenesulfonamido)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 9237631
2-(benzenesulfonamido)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 9236586
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
2-(benzenesulfonamido)-N-[(Z)-1-(3-chlorophenyl)ethylideneamino]acetamide
CID 9236360
2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135710674
N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
CID 3340797
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide (CID 135557531) is 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide is CC/C(=N\NC(=O)CNS(=O)(=O)c1ccccc1)c1cc(C)ccc1O.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide?
The InChIKey is RDRFMNOPVJYKEY-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-16(15-11-13(2)9-10-17(15)22)20-21-18(23)12-19-26(24,25)14-7-5-4-6-8-14/h4-11,19,22H,3,12H2,1-2H3,(H,21,23)/b20-16+.
What are the key properties of 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide has a molecular weight of 375.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide is sourced from PubChem (CID 135557531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).