N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide

C20H24N2O4S2 — CID 8746944

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1SC
InChIInChI=1S/C20H24N2O4S2/c1-26-18-11-10-15(28(24,25)22-12-6-3-7-13-22)14-17(18)21-20(23)16-8-4-5-9-19(16)27-2/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyKDUZPIRNTBIOAN-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.84
Rot. Bonds6

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide (PubChem CID 8746944) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
PubChem CID8746944
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1SC
InChIInChI=1S/C20H24N2O4S2/c1-26-18-11-10-15(28(24,25)22-12-6-3-7-13-22)14-17(18)21-20(23)16-8-4-5-9-19(16)27-2/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyKDUZPIRNTBIOAN-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46972391
2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42906254
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 46770117
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide (CID 8746944) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1SC.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is KDUZPIRNTBIOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-26-18-11-10-15(28(24,25)22-12-6-3-7-13-22)14-17(18)21-20(23)16-8-4-5-9-19(16)27-2/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 420.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 8746944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).