5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide

C27H38N4O3S — CID 55812160

IUPAC5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1
InChIInChI=1S/C27H38N4O3S/c1-21-9-5-8-18-31(21)20-22-10-12-23(13-11-22)28-27(32)25-19-24(35(33,34)29(2)3)14-15-26(25)30-16-6-4-7-17-30/h10-15,19,21H,4-9,16-18,20H2,1-3H3,(H,28,32)
InChIKeyAJQQMDXNQGBQGC-UHFFFAOYSA-N
MW498.69 g/mol
LogP4.55
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide (PubChem CID 55812160) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide
PubChem CID55812160
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC Name5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1
InChIInChI=1S/C27H38N4O3S/c1-21-9-5-8-18-31(21)20-22-10-12-23(13-11-22)28-27(32)25-19-24(35(33,34)29(2)3)14-15-26(25)30-16-6-4-7-17-30/h10-15,19,21H,4-9,16-18,20H2,1-3H3,(H,28,32)
InChIKeyAJQQMDXNQGBQGC-UHFFFAOYSA-N
XLogP4.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55869873
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
5-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55962545
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
CID 22108957
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide (CID 55812160) is 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide is CC1CCCCN1Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide?
The InChIKey is AJQQMDXNQGBQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3S/c1-21-9-5-8-18-31(21)20-22-10-12-23(13-11-22)28-27(32)25-19-24(35(33,34)29(2)3)14-15-26(25)30-16-6-4-7-17-30/h10-15,19,21H,4-9,16-18,20H2,1-3H3,(H,28,32).
What are the key properties of 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide has a molecular weight of 498.69 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 55812160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).