2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

C24H24ClN3O4S — CID 137107847

IUPAC2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C24H24ClN3O4S/c1-16-8-12-20(13-9-16)33(31,32)28(19-11-10-17(2)22(25)14-19)15-24(30)27-26-18(3)21-6-4-5-7-23(21)29/h4-14,29H,15H2,1-3H3,(H,27,30)/b26-18-
InChIKeyAMJTZIKELDYPHN-ITYLOYPMSA-N
MW485.99 g/mol
LogP4.40
Rot. Bonds7

About 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 137107847) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID137107847
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C24H24ClN3O4S/c1-16-8-12-20(13-9-16)33(31,32)28(19-11-10-17(2)22(25)14-19)15-24(30)27-26-18(3)21-6-4-5-7-23(21)29/h4-14,29H,15H2,1-3H3,(H,27,30)/b26-18-
InChIKeyAMJTZIKELDYPHN-ITYLOYPMSA-N
XLogP4.40
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.40
H-Bond Donors ≤ 52
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-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3879927
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
CID 6017448
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3943441
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879032
N-[(2S)-butan-2-yl]-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172785
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 5015345
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344647
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43875315

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 137107847) is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O.
What is the InChIKey of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is AMJTZIKELDYPHN-ITYLOYPMSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-16-8-12-20(13-9-16)33(31,32)28(19-11-10-17(2)22(25)14-19)15-24(30)27-26-18(3)21-6-4-5-7-23(21)29/h4-14,29H,15H2,1-3H3,(H,27,30)/b26-18-.
What are the key properties of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 485.99 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 137107847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).