N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H24N2O4S — CID 1428595

IUPACN-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-11-13-22(14-12-15)27(24,25)17-9-7-16(8-10-17)20(23)21-18-5-3-4-6-19(18)26-2/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyGCJWYHLCASKTOM-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.37
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 1428595) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID1428595
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-11-13-22(14-12-15)27(24,25)17-9-7-16(8-10-17)20(23)21-18-5-3-4-6-19(18)26-2/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyGCJWYHLCASKTOM-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 1428595) is N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is GCJWYHLCASKTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-11-13-22(14-12-15)27(24,25)17-9-7-16(8-10-17)20(23)21-18-5-3-4-6-19(18)26-2/h3-10,15H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.37, 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-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 1428595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).