N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide

C17H21NO3S — CID 110779823

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)Cc2ccc(C)cc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-4-6-15(7-5-13)12-22(19,20)18-11-16-8-9-17(21-3)14(2)10-16/h4-10,18H,11-12H2,1-3H3
InChIKeyOWFKJIDEPBDIHC-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.93
Rot. Bonds6

About N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide

N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110779823) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110779823
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)Cc2ccc(C)cc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-4-6-15(7-5-13)12-22(19,20)18-11-16-8-9-17(21-3)14(2)10-16/h4-10,18H,11-12H2,1-3H3
InChIKeyOWFKJIDEPBDIHC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 43771862
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(4-methoxy-3-methylphenyl)methanesulfonamide
CID 114999092
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
CID 110784907
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide (CID 110779823) is N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide is COc1ccc(CNS(=O)(=O)Cc2ccc(C)cc2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is OWFKJIDEPBDIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-4-6-15(7-5-13)12-22(19,20)18-11-16-8-9-17(21-3)14(2)10-16/h4-10,18H,11-12H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide?
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110779823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).