N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

C23H30N2O4S — CID 50767947

IUPACN-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCCOc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-3-29-21-8-6-20(7-9-21)17-24-23(26)16-19-12-14-25(15-13-19)30(27,28)22-10-4-18(2)5-11-22/h4-11,19H,3,12-17H2,1-2H3,(H,24,26)
InChIKeyVZBFRLHJUYBEGY-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.50
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 50767947) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID50767947
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCCOc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-3-29-21-8-6-20(7-9-21)17-24-23(26)16-19-12-14-25(15-13-19)30(27,28)22-10-4-18(2)5-11-22/h4-11,19H,3,12-17H2,1-2H3,(H,24,26)
InChIKeyVZBFRLHJUYBEGY-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
N-[(3-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294908
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50767959
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294858
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53124780
N-[2-(dimethylamino)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767976
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875042
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 50767947) is N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is CCOc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is VZBFRLHJUYBEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-29-21-8-6-20(7-9-21)17-24-23(26)16-19-12-14-25(15-13-19)30(27,28)22-10-4-18(2)5-11-22/h4-11,19H,3,12-17H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 50767947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).