N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide

C20H28N2O3S — CID 21182012

IUPACN-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide
SMILESCc1ccccc1OCC(C)N(C)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H28N2O3S/c1-16-7-5-6-8-20(16)25-15-17(2)22(3)14-13-18-9-11-19(12-10-18)21-26(4,23)24/h5-12,17,21H,13-15H2,1-4H3
InChIKeyXFCZPZXRIWPYIH-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.31
Rot. Bonds9

About N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 21182012) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID21182012
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide
SMILESCc1ccccc1OCC(C)N(C)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H28N2O3S/c1-16-7-5-6-8-20(16)25-15-17(2)22(3)14-13-18-9-11-19(12-10-18)21-26(4,23)24/h5-12,17,21H,13-15H2,1-4H3
InChIKeyXFCZPZXRIWPYIH-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
CID 13106303
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713
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-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30242468
ethyl 2-[4-[2-[4-(methanesulfonamido)phenyl]ethoxy]phenyl]propanoate
CID 141018086
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide
CID 139341837
N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide
CID 70305466

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide (CID 21182012) is N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide is Cc1ccccc1OCC(C)N(C)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is XFCZPZXRIWPYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-16-7-5-6-8-20(16)25-15-17(2)22(3)14-13-18-9-11-19(12-10-18)21-26(4,23)24/h5-12,17,21H,13-15H2,1-4H3.
What are the key properties of N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.31, 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-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 21182012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).