N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide

C17H21NO3S — CID 90598840

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C17H21NO3S/c1-13-8-10-15(11-9-13)22(19,20)18-12-17(21-3)16-7-5-4-6-14(16)2/h4-11,17-18H,12H2,1-3H3
InChIKeyIDCWDWMYYHGVRE-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.97
Rot. Bonds6

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 90598840) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID90598840
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C17H21NO3S/c1-13-8-10-15(11-9-13)22(19,20)18-12-17(21-3)16-7-5-4-6-14(16)2/h4-11,17-18H,12H2,1-3H3
InChIKeyIDCWDWMYYHGVRE-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 90598894
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 57408238
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97417819

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide (CID 90598840) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is IDCWDWMYYHGVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-8-10-15(11-9-13)22(19,20)18-12-17(21-3)16-7-5-4-6-14(16)2/h4-11,17-18H,12H2,1-3H3.
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 90598840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).