N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide

C18H22N2O5S — CID 113070442

IUPACN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
SMILESCOc1cccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-17-10-6-7-15(13-17)20(26(2,22)23)12-11-19-18(21)14-25-16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
InChIKeyQKAPACRPLYEPEV-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.66
Rot. Bonds9

About N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113070442) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
PubChem CID113070442
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
SMILESCOc1cccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-17-10-6-7-15(13-17)20(26(2,22)23)12-11-19-18(21)14-25-16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
InChIKeyQKAPACRPLYEPEV-UHFFFAOYSA-N
XLogP1.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113071655
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide (CID 113070442) is N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide is COc1cccc(N(CCNC(=O)COc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is QKAPACRPLYEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-17-10-6-7-15(13-17)20(26(2,22)23)12-11-19-18(21)14-25-16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 378.45 g/mol, XLogP of 1.66, 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-phenoxyacetamide is sourced from PubChem (CID 113070442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).