N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide

C17H21NO4S — CID 110777825

IUPACN-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2cccc(C)c2)c(OC)cc1C
InChIInChI=1S/C17H21NO4S/c1-12-6-5-7-14(8-12)11-23(19,20)18-15-10-16(21-3)13(2)9-17(15)22-4/h5-10,18H,11H2,1-4H3
InChIKeyKRPGIDLVXGUAOD-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.26
Rot. Bonds6

About N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide

N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110777825) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110777825
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2cccc(C)c2)c(OC)cc1C
InChIInChI=1S/C17H21NO4S/c1-12-6-5-7-14(8-12)11-23(19,20)18-15-10-16(21-3)13(2)9-17(15)22-4/h5-10,18H,11H2,1-4H3
InChIKeyKRPGIDLVXGUAOD-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 110780305
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide
CID 38007901
2-methoxy-5-[(3-methylphenyl)methylsulfonylmethyl]aniline
CID 62769862
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
CID 110779468
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide (CID 110777825) is N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide is COc1cc(NS(=O)(=O)Cc2cccc(C)c2)c(OC)cc1C.
What is the InChIKey of N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is KRPGIDLVXGUAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-6-5-7-14(8-12)11-23(19,20)18-15-10-16(21-3)13(2)9-17(15)22-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide?
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110777825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).