N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C25H28N2O5S — CID 2359652

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-4-14-24(15-5-19)33(29,30)27(2)21-8-12-23(13-9-21)32-18-25(28)26-17-16-20-6-10-22(31-3)11-7-20/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyOPJHWYZZWYFDLX-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.57
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 2359652) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID2359652
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-4-14-24(15-5-19)33(29,30)27(2)21-8-12-23(13-9-21)32-18-25(28)26-17-16-20-6-10-22(31-3)11-7-20/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyOPJHWYZZWYFDLX-UHFFFAOYSA-N
XLogP3.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2S)-2-Hydroxy-3-[[2-[4-[(phenylsulfonyl)amino]phenyl]ethyl]amino]propoxy]phenyl]methyl]-acetamide
CID 10028830
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
CID 508697
2-{4-[(isopropylamino)sulfonyl]phenoxy}-N-1-naphthylacetamide
CID 1314065
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 2359652) is N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is COc1ccc(CCNC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is OPJHWYZZWYFDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19-4-14-24(15-5-19)33(29,30)27(2)21-8-12-23(13-9-21)32-18-25(28)26-17-16-20-6-10-22(31-3)11-7-20/h4-15H,16-18H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 2359652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).