N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

C24H32N2O5S — CID 55388786

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)c1
InChIInChI=1S/C24H32N2O5S/c1-16-9-11-20(32(28,29)26-13-7-6-8-17(26)2)15-21(16)24(27)25-18(3)22-14-19(30-4)10-12-23(22)31-5/h9-12,14-15,17-18H,6-8,13H2,1-5H3,(H,25,27)
InChIKeyHWMOCCHSPPIWRJ-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.07
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55388786) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55388786
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)c1
InChIInChI=1S/C24H32N2O5S/c1-16-9-11-20(32(28,29)26-13-7-6-8-17(26)2)15-21(16)24(27)25-18(3)22-14-19(30-4)10-12-23(22)31-5/h9-12,14-15,17-18H,6-8,13H2,1-5H3,(H,25,27)
InChIKeyHWMOCCHSPPIWRJ-UHFFFAOYSA-N
XLogP4.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 133166535
methyl (2S)-3-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 55942554
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46485568
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55654076
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 55421315
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55388786) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(OC)c(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is HWMOCCHSPPIWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-16-9-11-20(32(28,29)26-13-7-6-8-17(26)2)15-21(16)24(27)25-18(3)22-14-19(30-4)10-12-23(22)31-5/h9-12,14-15,17-18H,6-8,13H2,1-5H3,(H,25,27).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 460.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55388786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).