N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

C17H28N2O3S — CID 72866904

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O3S/c1-18-11-8-16(9-12-18)14-19(23(3,20)21)13-10-15-4-6-17(22-2)7-5-15/h4-7,16H,8-14H2,1-3H3
InChIKeyDCDWVFZJQFQIQT-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 72866904) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID72866904
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O3S/c1-18-11-8-16(9-12-18)14-19(23(3,20)21)13-10-15-4-6-17(22-2)7-5-15/h4-7,16H,8-14H2,1-3H3
InChIKeyDCDWVFZJQFQIQT-UHFFFAOYSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 42526208
N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 25457846
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25289668
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 154900232
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 26399408
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 25373827
4-cyano-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 72918434
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967188
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113151250

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide (CID 72866904) is N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide is COc1ccc(CCN(CC2CCN(C)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is DCDWVFZJQFQIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-18-11-8-16(9-12-18)14-19(23(3,20)21)13-10-15-4-6-17(22-2)7-5-15/h4-7,16H,8-14H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 72866904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).