N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C24H32N2O5S — CID 46485568

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1OC
InChIInChI=1S/C24H32N2O5S/c1-16-14-22(30-4)23(31-5)15-21(16)18(3)25-24(27)19-9-11-20(12-10-19)32(28,29)26-13-7-6-8-17(26)2/h9-12,14-15,17-18H,6-8,13H2,1-5H3,(H,25,27)
InChIKeyXVZYXDINMNKUOZ-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.07
Rot. Bonds7

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46485568) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46485568
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1OC
InChIInChI=1S/C24H32N2O5S/c1-16-14-22(30-4)23(31-5)15-21(16)18(3)25-24(27)19-9-11-20(12-10-19)32(28,29)26-13-7-6-8-17(26)2/h9-12,14-15,17-18H,6-8,13H2,1-5H3,(H,25,27)
InChIKeyXVZYXDINMNKUOZ-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-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46436540
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55388786
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 51956622
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide
CID 51193153
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55654076
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133217613
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 98449460

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 46485568) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1cc(C)c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1OC.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is XVZYXDINMNKUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-16-14-22(30-4)23(31-5)15-21(16)18(3)25-24(27)19-9-11-20(12-10-19)32(28,29)26-13-7-6-8-17(26)2/h9-12,14-15,17-18H,6-8,13H2,1-5H3,(H,25,27).
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(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-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46485568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).