N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

C20H24N2O4S — CID 999491

IUPACN-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-7-5-6-14-22(15)27(24,25)17-12-10-16(11-13-17)20(23)21-18-8-3-4-9-19(18)26-2/h3-4,8-13,15H,5-7,14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyYXYGNDIEKRNYLU-OAHLLOKOSA-N
MW388.49 g/mol
LogP3.51
Rot. Bonds5

About N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 999491) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID999491
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-7-5-6-14-22(15)27(24,25)17-12-10-16(11-13-17)20(23)21-18-8-3-4-9-19(18)26-2/h3-4,8-13,15H,5-7,14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyYXYGNDIEKRNYLU-OAHLLOKOSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46436540
1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 43059447
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 46696547
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8780251
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4799810
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 16554821

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 999491) is N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is YXYGNDIEKRNYLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-7-5-6-14-22(15)27(24,25)17-12-10-16(11-13-17)20(23)21-18-8-3-4-9-19(18)26-2/h3-4,8-13,15H,5-7,14H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 999491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).