N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide

C26H33N3O5S2 — CID 14645114

IUPACN-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCOC(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C26H33N3O5S2/c1-29(18-17-21-9-13-24(14-10-21)27-35(2,30)31)19-20-34-26(22-7-5-4-6-8-22)23-11-15-25(16-12-23)28-36(3,32)33/h4-16,26-28H,17-20H2,1-3H3
InChIKeyVWGAFAHXMZKFNB-UHFFFAOYSA-N
MW531.70 g/mol
LogP3.71
Rot. Bonds13

About N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 14645114) has the molecular formula C26H33N3O5S2 and a molecular weight of 531.70 g/mol. Its IUPAC name is N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
PubChem CID14645114
Molecular FormulaC26H33N3O5S2
Molecular Weight531.70 g/mol
Exact Mass531.19
IUPAC NameN-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCOC(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C26H33N3O5S2/c1-29(18-17-21-9-13-24(14-10-21)27-35(2,30)31)19-20-34-26(22-7-5-4-6-8-22)23-11-15-25(16-12-23)28-36(3,32)33/h4-16,26-28H,17-20H2,1-3H3
InChIKeyVWGAFAHXMZKFNB-UHFFFAOYSA-N
XLogP3.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.70
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
CID 75501883
1-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]-4-[(sulfinatoamino)methyl]benzene
CID 169226968
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
CID 67936136
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-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide
CID 21182012
N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 10389165
N'-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-N'-methylmethanediamine;dihydrochloride
CID 121230654
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
CID 166429377
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
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide (CID 14645114) is N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide is CN(CCOC(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is VWGAFAHXMZKFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S2/c1-29(18-17-21-9-13-24(14-10-21)27-35(2,30)31)19-20-34-26(22-7-5-4-6-8-22)23-11-15-25(16-12-23)28-36(3,32)33/h4-16,26-28H,17-20H2,1-3H3.
What are the key properties of N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 531.70 g/mol, XLogP of 3.71, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14645114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).