5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide

C24H28FN5O3S — CID 55857004

IUPAC5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1F
InChIInChI=1S/C24H28FN5O3S/c1-17-26-11-14-30(17)23-9-7-18(15-21(23)25)27-24(31)20-16-19(34(32,33)28(2)3)8-10-22(20)29-12-5-4-6-13-29/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,27,31)
InChIKeyRVSOBYQWGMLQJW-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.81
Rot. Bonds6

About 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide (PubChem CID 55857004) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
PubChem CID55857004
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1F
InChIInChI=1S/C24H28FN5O3S/c1-17-26-11-14-30(17)23-9-7-18(15-21(23)25)27-24(31)20-16-19(34(32,33)28(2)3)8-10-22(20)29-12-5-4-6-13-29/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,27,31)
InChIKeyRVSOBYQWGMLQJW-UHFFFAOYSA-N
XLogP3.81
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
CID 22108957
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 25162057
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
5-(dimethylsulfamoyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55882250
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
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
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide (CID 55857004) is 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide is Cc1nccn1-c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1F.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide?
The InChIKey is RVSOBYQWGMLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3S/c1-17-26-11-14-30(17)23-9-7-18(15-21(23)25)27-24(31)20-16-19(34(32,33)28(2)3)8-10-22(20)29-12-5-4-6-13-29/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,27,31).
What are the key properties of 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide has a molecular weight of 485.59 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 55857004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).