N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide

C19H24N2O5S — CID 113070449

IUPACN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1cccc(N(CCNC(=O)COc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O5S/c1-15-7-9-17(10-8-15)26-14-19(22)20-11-12-21(27(3,23)24)16-5-4-6-18(13-16)25-2/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyOMUVXHQEMAJRNR-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.96
Rot. Bonds9

About N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113070449) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID113070449
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1cccc(N(CCNC(=O)COc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O5S/c1-15-7-9-17(10-8-15)26-14-19(22)20-11-12-21(27(3,23)24)16-5-4-6-18(13-16)25-2/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyOMUVXHQEMAJRNR-UHFFFAOYSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide (CID 113070449) is N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide is COc1cccc(N(CCNC(=O)COc2ccc(C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OMUVXHQEMAJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-15-7-9-17(10-8-15)26-14-19(22)20-11-12-21(27(3,23)24)16-5-4-6-18(13-16)25-2/h4-10,13H,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 392.48 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113070449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).