2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide

C23H26N2O3S — CID 52906764

IUPAC2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C23H26N2O3S/c1-28-23-12-10-21(11-13-23)15-18-29(26,27)25(19-22-9-5-6-16-24-22)17-14-20-7-3-2-4-8-20/h2-13,16H,14-15,17-19H2,1H3
InChIKeyZIRWOQFGWMKLMC-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.71
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide

2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide (PubChem CID 52906764) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
PubChem CID52906764
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C23H26N2O3S/c1-28-23-12-10-21(11-13-23)15-18-29(26,27)25(19-22-9-5-6-16-24-22)17-14-20-7-3-2-4-8-20/h2-13,16H,14-15,17-19H2,1H3
InChIKeyZIRWOQFGWMKLMC-UHFFFAOYSA-N
XLogP3.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Bis[2-(4-methoxyphenyl)ethenyl]pyrazine
CID 15504852
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809786
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
4-Methoxy-1-[2-(6-(2-pyridyl)(2-pyridyl))(4-pyridyl)]benzene
CID 4105676
1-(4-Methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10069527
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(3-Methoxybenzylidene)anabaseine
CID 11637689
2,2,2-Trifluoro-ethanesulfonic acid (3-benzyloxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521692
Ethanesulfonic acid (3-benzyloxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521693
Ethanesulfonic acid (3-phenoxymethyl-phenyl)-pyridin-3-ylmethyl-amide
CID 23521708

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide (CID 52906764) is 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
The InChIKey is ZIRWOQFGWMKLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-28-23-12-10-21(11-13-23)15-18-29(26,27)25(19-22-9-5-6-16-24-22)17-14-20-7-3-2-4-8-20/h2-13,16H,14-15,17-19H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 52906764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).