2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

C18H22N2O4S — CID 2890982

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(15-7-5-4-6-8-15)19-18(21)13-20(25(3,22)23)16-9-11-17(24-2)12-10-16/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyZPPLEHPCVBLMMI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.34
Rot. Bonds7

About 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 2890982) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID2890982
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(15-7-5-4-6-8-15)19-18(21)13-20(25(3,22)23)16-9-11-17(24-2)12-10-16/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyZPPLEHPCVBLMMI-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(4-iodo-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94012982
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43895591
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94016440
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 43891601
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92677359
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-(3-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 38006149
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 30257133

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (CID 2890982) is 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is COc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is ZPPLEHPCVBLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(15-7-5-4-6-8-15)19-18(21)13-20(25(3,22)23)16-9-11-17(24-2)12-10-16/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2890982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).