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

C19H26N2O3S — CID 54136082

IUPACN-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCc1ccc(OCCN(C)CCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-16-4-10-19(11-5-16)24-15-14-21(2)13-12-17-6-8-18(9-7-17)20-25(3,22)23/h4-11,20H,12-15H2,1-3H3
InChIKeyNXUALCCCAJFIPY-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.92
Rot. Bonds9

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

N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 54136082) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID54136082
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCc1ccc(OCCN(C)CCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-16-4-10-19(11-5-16)24-15-14-21(2)13-12-17-6-8-18(9-7-17)20-25(3,22)23/h4-11,20H,12-15H2,1-3H3
InChIKeyNXUALCCCAJFIPY-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]-4-[(sulfinatoamino)methyl]benzene
CID 169226968
2-[2-(4-aminophenyl)ethyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]-N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]ethanesulfonamide
CID 59046007
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
N-[4-[2-[methyl-[2-[(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]amino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 67839710
N-[4-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfinamide
CID 142074181
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
CID 67936136
1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
CID 110776970
N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 158064526
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate
CID 141018086
ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide
CID 143210969

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide (CID 54136082) is N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide is Cc1ccc(OCCN(C)CCc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is NXUALCCCAJFIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-16-4-10-19(11-5-16)24-15-14-21(2)13-12-17-6-8-18(9-7-17)20-25(3,22)23/h4-11,20H,12-15H2,1-3H3.
What are the key properties of N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 54136082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).