N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C22H28N2O4S — CID 4799810

IUPACN-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C22H28N2O4S/c1-15-8-7-10-19(17(15)3)23-22(25)18-11-12-20(28-4)21(14-18)29(26,27)24-13-6-5-9-16(24)2/h7-8,10-12,14,16H,5-6,9,13H2,1-4H3,(H,23,25)
InChIKeyYZNVZLQZKPZSRL-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.13
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4799810) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4799810
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C22H28N2O4S/c1-15-8-7-10-19(17(15)3)23-22(25)18-11-12-20(28-4)21(14-18)29(26,27)24-13-6-5-9-16(24)2/h7-8,10-12,14,16H,5-6,9,13H2,1-4H3,(H,23,25)
InChIKeyYZNVZLQZKPZSRL-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide
CID 41029646
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 46696547
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24685961
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24656097
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7740772

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 4799810) is N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is YZNVZLQZKPZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-15-8-7-10-19(17(15)3)23-22(25)18-11-12-20(28-4)21(14-18)29(26,27)24-13-6-5-9-16(24)2/h7-8,10-12,14,16H,5-6,9,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4799810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).