5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide

C25H29N5O4S — CID 22108957

IUPAC5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1
InChIInChI=1S/C25H29N5O4S/c1-28(2)35(33,34)20-11-12-22(30-14-5-4-6-15-30)21(17-20)25(32)27-19-9-7-18(8-10-19)23(31)24-26-13-16-29(24)3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,32)
InChIKeyZGYKWDPYCFIJIO-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.14
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide (PubChem CID 22108957) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
PubChem CID22108957
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1
InChIInChI=1S/C25H29N5O4S/c1-28(2)35(33,34)20-11-12-22(30-14-5-4-6-15-30)21(17-20)25(32)27-19-9-7-18(8-10-19)23(31)24-26-13-16-29(24)3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,32)
InChIKeyZGYKWDPYCFIJIO-UHFFFAOYSA-N
XLogP3.14
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(dimethylsulfamoyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55882250
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
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5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
CID 55857004
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55962545
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide
CID 55812160
5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide
CID 148618893
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24603990

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide (CID 22108957) is 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide?
The InChIKey is ZGYKWDPYCFIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-28(2)35(33,34)20-11-12-22(30-14-5-4-6-15-30)21(17-20)25(32)27-19-9-7-18(8-10-19)23(31)24-26-13-16-29(24)3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,32).
What are the key properties of 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide has a molecular weight of 495.61 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 22108957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).