N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide

C17H21NO4S — CID 110425472

IUPACN-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C17H21NO4S/c1-13-7-5-6-8-14(13)12-23(19,20)18(2)15-9-10-16(21-3)17(11-15)22-4/h5-11H,12H2,1-4H3
InChIKeyVJNPEHYQNFTZNZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.98
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide

N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110425472) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
PubChem CID110425472
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C17H21NO4S/c1-13-7-5-6-8-14(13)12-23(19,20)18(2)15-9-10-16(21-3)17(11-15)22-4/h5-11H,12H2,1-4H3
InChIKeyVJNPEHYQNFTZNZ-UHFFFAOYSA-N
XLogP2.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide
CID 110618623
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
CID 62021691
4-methoxy-3-[(2-methylphenyl)methylsulfonylmethyl]aniline
CID 62770354
N-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 46022543
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1009965
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 28577730
2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132690790
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100526918

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide (CID 110425472) is N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide is COc1ccc(N(C)S(=O)(=O)Cc2ccccc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is VJNPEHYQNFTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13-7-5-6-8-14(13)12-23(19,20)18(2)15-9-10-16(21-3)17(11-15)22-4/h5-11H,12H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110425472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).