N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C24H32N2O5S2 — CID 55550998

IUPACN,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H32N2O5S2/c1-17-9-12-22(33(30,31)26-15-7-6-8-18(26)2)16-23(17)24(27)25(4)19(3)20-10-13-21(14-11-20)32(5,28)29/h9-14,16,18-19H,6-8,15H2,1-5H3
InChIKeyPUQOHVXXWIUXIU-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.79
Rot. Bonds6

About N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 55550998) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID55550998
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC NameN,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H32N2O5S2/c1-17-9-12-22(33(30,31)26-15-7-6-8-18(26)2)16-23(17)24(27)25(4)19(3)20-10-13-21(14-11-20)32(5,28)29/h9-14,16,18-19H,6-8,15H2,1-5H3
InChIKeyPUQOHVXXWIUXIU-UHFFFAOYSA-N
XLogP3.79
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 43021987
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55342700
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 55363381
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-[bis(4-chlorophenyl)methyl]-2-bromo-N-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 166348288
(1-amino-1-oxopropan-2-yl) 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 55320484
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42909107
[1-oxo-1-(propylamino)propan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 46624379

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 55550998) is N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is PUQOHVXXWIUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-17-9-12-22(33(30,31)26-15-7-6-8-18(26)2)16-23(17)24(27)25(4)19(3)20-10-13-21(14-11-20)32(5,28)29/h9-14,16,18-19H,6-8,15H2,1-5H3.
What are the key properties of N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 492.66 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 55550998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).