4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

C23H31N3O4S — CID 4878991

IUPAC4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-25(2)31(28,29)21-13-9-19(10-14-21)23(27)24-17-22(26-15-5-4-6-16-26)18-7-11-20(30-3)12-8-18/h7-14,22H,4-6,15-17H2,1-3H3,(H,24,27)
InChIKeyKFLVJPKNHSCIEK-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.90
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 4878991) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID4878991
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-25(2)31(28,29)21-13-9-19(10-14-21)23(27)24-17-22(26-15-5-4-6-16-26)18-7-11-20(30-3)12-8-18/h7-14,22H,4-6,15-17H2,1-3H3,(H,24,27)
InChIKeyKFLVJPKNHSCIEK-UHFFFAOYSA-N
XLogP2.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (CID 4878991) is 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is COc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is KFLVJPKNHSCIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-25(2)31(28,29)21-13-9-19(10-14-21)23(27)24-17-22(26-15-5-4-6-16-26)18-7-11-20(30-3)12-8-18/h7-14,22H,4-6,15-17H2,1-3H3,(H,24,27).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 4878991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).