2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide

C19H23ClN2O4S — CID 95161760

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)cc(OCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-14-9-15(2)11-18(10-14)26-8-7-21-19(23)13-22(27(3,24)25)17-6-4-5-16(20)12-17/h4-6,9-12H,7-8,13H2,1-3H3,(H,21,23)
InChIKeyMWEFDBBUVJVXLQ-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.92
Rot. Bonds8

About 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide (PubChem CID 95161760) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
PubChem CID95161760
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)cc(OCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-14-9-15(2)11-18(10-14)26-8-7-21-19(23)13-22(27(3,24)25)17-6-4-5-16(20)12-17/h4-6,9-12H,7-8,13H2,1-3H3,(H,21,23)
InChIKeyMWEFDBBUVJVXLQ-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30242800
2-(3-bromo-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30219855
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153
N-[2-(4-methylphenoxy)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 30230420
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(3-chloro-N-methylsulfonylanilino)-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]acetamide
CID 97078191
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211247
2-(3-chloro-N-methylsulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219674
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342538
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide (CID 95161760) is 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide is Cc1cc(C)cc(OCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide?
The InChIKey is MWEFDBBUVJVXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-14-9-15(2)11-18(10-14)26-8-7-21-19(23)13-22(27(3,24)25)17-6-4-5-16(20)12-17/h4-6,9-12H,7-8,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide has a molecular weight of 410.92 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 95161760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).