N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

C23H26N2O3S — CID 18512163

IUPACN-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOc1cccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)c1
InChIInChI=1S/C23H26N2O3S/c1-18-22(24-29(3,26)27)13-8-14-23(18)25(16-19-9-5-4-6-10-19)17-20-11-7-12-21(15-20)28-2/h4-15,24H,16-17H2,1-3H3
InChIKeyFXPSJROJKAQZAS-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.58
Rot. Bonds8

About N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 18512163) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID18512163
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOc1cccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)c1
InChIInChI=1S/C23H26N2O3S/c1-18-22(24-29(3,26)27)13-8-14-23(18)25(16-19-9-5-4-6-10-19)17-20-11-7-12-21(15-20)28-2/h4-15,24H,16-17H2,1-3H3
InChIKeyFXPSJROJKAQZAS-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (CID 18512163) is N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is COc1cccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)c1.
What is the InChIKey of N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is FXPSJROJKAQZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-18-22(24-29(3,26)27)13-8-14-23(18)25(16-19-9-5-4-6-10-19)17-20-11-7-12-21(15-20)28-2/h4-15,24H,16-17H2,1-3H3.
What are the key properties of N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 18512163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).