N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide

C23H30N2O6S — CID 28554635

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC
InChIInChI=1S/C23H30N2O6S/c1-17-10-12-25(13-11-17)32(27,28)20-7-5-19(6-8-20)31-16-23(26)24-15-18-4-9-21(29-2)22(14-18)30-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,24,26)
InChIKeyFGORHYQVHZDAEC-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.82
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide (PubChem CID 28554635) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
PubChem CID28554635
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC
InChIInChI=1S/C23H30N2O6S/c1-17-10-12-25(13-11-17)32(27,28)20-7-5-19(6-8-20)31-16-23(26)24-15-18-4-9-21(29-2)22(14-18)30-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,24,26)
InChIKeyFGORHYQVHZDAEC-UHFFFAOYSA-N
XLogP2.82
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554611
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55867417
2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591213
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875034
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide (CID 28554635) is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide is COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
The InChIKey is FGORHYQVHZDAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-17-10-12-25(13-11-17)32(27,28)20-7-5-19(6-8-20)31-16-23(26)24-15-18-4-9-21(29-2)22(14-18)30-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide has a molecular weight of 462.57 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide is sourced from PubChem (CID 28554635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).