5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide

C23H31N3O4S — CID 55364063

IUPAC5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-24(2)31(28,29)20-12-13-22(26-14-6-5-7-15-26)21(16-20)23(27)25(3)17-18-8-10-19(30-4)11-9-18/h8-13,16H,5-7,14-15,17H2,1-4H3
InChIKeyDHGJYBBIHKLVJG-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.21
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide (PubChem CID 55364063) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide
PubChem CID55364063
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-24(2)31(28,29)20-12-13-22(26-14-6-5-7-15-26)21(16-20)23(27)25(3)17-18-8-10-19(30-4)11-9-18/h8-13,16H,5-7,14-15,17H2,1-4H3
InChIKeyDHGJYBBIHKLVJG-UHFFFAOYSA-N
XLogP3.21
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 37491987
N-benzyl-5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 29200489
(4-methoxyphenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 16573126
N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
CID 16560694
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 30274722
N-(1,3-benzodioxol-5-ylmethyl)-5-(diethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 46613014
N-(2,5-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24979674
(4-methylphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 2626484
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide (CID 55364063) is 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide is COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide?
The InChIKey is DHGJYBBIHKLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-24(2)31(28,29)20-12-13-22(26-14-6-5-7-15-26)21(16-20)23(27)25(3)17-18-8-10-19(30-4)11-9-18/h8-13,16H,5-7,14-15,17H2,1-4H3.
What are the key properties of 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide has a molecular weight of 445.59 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 55364063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).