(2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide

C23H23N3O3S — CID 142237557

IUPAC(2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide
SMILESC/C(=N\N(c1ccc(S(C)=O)cc1)c1cc(-c2ccccc2O)ccc1C)C(N)=O
InChIInChI=1S/C23H23N3O3S/c1-15-8-9-17(20-6-4-5-7-22(20)27)14-21(15)26(25-16(2)23(24)28)18-10-12-19(13-11-18)30(3)29/h4-14,27H,1-3H3,(H2,24,28)/b25-16+
InChIKeyGXHPCOHVYFKWCM-PCLIKHOPSA-N
MW421.52 g/mol
LogP4.10
Rot. Bonds6

About (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide

(2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide (PubChem CID 142237557) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide.

Molecular Properties

Compound Name(2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide
PubChem CID142237557
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name(2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide
SMILESC/C(=N\N(c1ccc(S(C)=O)cc1)c1cc(-c2ccccc2O)ccc1C)C(N)=O
InChIInChI=1S/C23H23N3O3S/c1-15-8-9-17(20-6-4-5-7-22(20)27)14-21(15)26(25-16(2)23(24)28)18-10-12-19(13-11-18)30(3)29/h4-14,27H,1-3H3,(H2,24,28)/b25-16+
InChIKeyGXHPCOHVYFKWCM-PCLIKHOPSA-N
XLogP4.10
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide
CID 90685009
zinc 5-methylsulfinyl-2-sulfanylphenol
CID 22352050
2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene
CID 91803018
2-[3-(2-aminoethyl)-4-methylphenyl]phenol
CID 115036227
2-(diphenylhydrazinylidene)propanoic acid
CID 4737078
(1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene
CID 71209514
2-[3-(4-methylphenyl)phenyl]phenol
CID 123237634
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
2-(3-methylphenyl)phenol
CID 11206198
4-chloro-3-(4-methylsulfinylphenyl)benzoic acid
CID 68553754
1-N,8-N-bis[2-methyl-5-(2-methylphenyl)phenyl]-1-N,8-N-diphenylpyrene-1,8-diamine
CID 129062966

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide?
The IUPAC name of (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide (CID 142237557) is (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide.
What is the SMILES notation for (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide?
The canonical SMILES for (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide is C/C(=N\N(c1ccc(S(C)=O)cc1)c1cc(-c2ccccc2O)ccc1C)C(N)=O.
What is the InChIKey of (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide?
The InChIKey is GXHPCOHVYFKWCM-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15-8-9-17(20-6-4-5-7-22(20)27)14-21(15)26(25-16(2)23(24)28)18-10-12-19(13-11-18)30(3)29/h4-14,27H,1-3H3,(H2,24,28)/b25-16+.
What are the key properties of (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide?
(2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide has a molecular weight of 421.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide is sourced from PubChem (CID 142237557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).