N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide

C18H23NO4S — CID 110755855

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C18H23NO4S/c1-14-6-4-5-7-16(14)13-24(20,21)19-11-10-15-8-9-17(22-2)18(12-15)23-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyXWCGPIHRQSZVSI-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110755855) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110755855
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C18H23NO4S/c1-14-6-4-5-7-16(14)13-24(20,21)19-11-10-15-8-9-17(22-2)18(12-15)23-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyXWCGPIHRQSZVSI-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butane-1-sulfonamide
CID 61456383
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367721
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110791137
1-(1,2-benzoxazol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 90624426
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 94143746
N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110425472
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974929
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111213210
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110755855) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide is COc1ccc(CCNS(=O)(=O)Cc2ccccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is XWCGPIHRQSZVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-14-6-4-5-7-16(14)13-24(20,21)19-11-10-15-8-9-17(22-2)18(12-15)23-3/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110755855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).