N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide

C17H21NO3S — CID 110787472

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C)cc1CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H21NO3S/c1-14-8-9-17(21-2)16(12-14)10-11-18-22(19,20)13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeySSNAIKFASWZFAU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 110787472) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID110787472
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C)cc1CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H21NO3S/c1-14-8-9-17(21-2)16(12-14)10-11-18-22(19,20)13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeySSNAIKFASWZFAU-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110789718
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134986
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 26539867
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide (CID 110787472) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide is COc1ccc(C)cc1CCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is SSNAIKFASWZFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-8-9-17(21-2)16(12-14)10-11-18-22(19,20)13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110787472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).