N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

C23H26N2O3S — CID 18511980

IUPACN-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1
InChIInChI=1S/C23H26N2O3S/c1-18-22(24-29(3,26)27)10-7-11-23(18)25(16-19-8-5-4-6-9-19)17-20-12-14-21(28-2)15-13-20/h4-15,24H,16-17H2,1-3H3
InChIKeyABFWCZZPERJPEX-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.58
Rot. Bonds8

About N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 18511980) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID18511980
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1
InChIInChI=1S/C23H26N2O3S/c1-18-22(24-29(3,26)27)10-7-11-23(18)25(16-19-8-5-4-6-9-19)17-20-12-14-21(28-2)15-13-20/h4-15,24H,16-17H2,1-3H3
InChIKeyABFWCZZPERJPEX-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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Related Compounds

(4-(4-((Benzyl(2-methyl-3-((methylsulfonyl)amino)phenyl)amino)methyl)phenoxy)phenoxy)acetic acid
CID 11410199
N-[3-(benzyl{4-[3-(3-morpholin-4-ylpropoxy)phenoxy]benzyl}amino)-2-methylphenyl]methanesulfonamide
CID 10189211
3-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenyl)propanoic Acid
CID 18511931
N-{3-[Benzyl-(3-methoxy-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512163
N-{3-[[4-(allyloxy)benzyl](benzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512192
N-{3-[(2,4-Difluoro-benzyl)-(4-phenoxy-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512224
N-(3-Dibenzylamino-2-ethoxymethyl-phenyl)-methanesulfonamide
CID 18512282
N-[3-(Benzyl-{4-[3-(2-methoxy-ethoxy)-phenoxy]-benzyl}-amino)-2-methyl-phenyl]-methanesulfonamide
CID 18512329
N-(3-(Benzyl(4-phenoxybenzyl)amino)-2-methylphenyl)methanesulfonamide
CID 18512392
4-[(4-Methoxybenzyl)amino]benzenesulfonamide
CID 834412
N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
CID 10862804
N-[4-[2-[benzyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 10864049

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (CID 18511980) is N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is COc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1.
What is the InChIKey of N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is ABFWCZZPERJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-18-22(24-29(3,26)27)10-7-11-23(18)25(16-19-8-5-4-6-9-19)17-20-12-14-21(28-2)15-13-20/h4-15,24H,16-17H2,1-3H3.
What are the key properties of N-[3-[benzyl-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
N-[3-[benzyl-[(4-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-[(4-methoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 18511980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).