N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

C24H28N2O3S — CID 10862804

IUPACN-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O3S/c1-29-24-11-7-6-10-22(24)19-26(18-21-8-4-3-5-9-21)17-16-20-12-14-23(15-13-20)25-30(2,27)28/h3-15,25H,16-19H2,1-2H3
InChIKeyGIVUKPISYKLPHB-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.31
Rot. Bonds10

About N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 10862804) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID10862804
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccccc1CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O3S/c1-29-24-11-7-6-10-22(24)19-26(18-21-8-4-3-5-9-21)17-16-20-12-14-23(15-13-20)25-30(2,27)28/h3-15,25H,16-19H2,1-2H3
InChIKeyGIVUKPISYKLPHB-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dofetilide
CID 71329
N-[3-[(3-Benzhydryl-4-oxo-1-piperidinyl)methyl]-4-methoxyphenyl]methanesulfonamide
CID 9869697
rel-N-[4-Methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide
CID 10363809
N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
N-[4-[2-[benzyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 10006804
N-(3-((dimethylamino)methyl)-4-(4-(trifluoromethyl)phenoxy)phenyl)methanesulfonamide
CID 10110820
N-{3-[Benzyl-(4-methoxy-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18511980
N-{3-[Benzyl-(3-methoxy-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512163
N-[4-[2-[benzyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 10864049
N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-prop-2-enylamino]ethyl]phenyl]methanesulfonamide
CID 10983512
N-[4-[2-[bis[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 11125100
N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
CID 11734297

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (CID 10862804) is N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is COc1ccccc1CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is GIVUKPISYKLPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-29-24-11-7-6-10-22(24)19-26(18-21-8-4-3-5-9-21)17-16-20-12-14-23(15-13-20)25-30(2,27)28/h3-15,25H,16-19H2,1-2H3.
What are the key properties of N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10862804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).