N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide

C25H33N3O4S — CID 55895387

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C25H33N3O4S/c1-16(2)27-33(31,32)22-8-6-7-20(12-22)24(29)26-23-13-21(10-9-19(23)5)25(30)28-14-17(3)11-18(4)15-28/h6-10,12-13,16-18,27H,11,14-15H2,1-5H3,(H,26,29)
InChIKeyQRUNXOJHOJDUCA-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.05
Rot. Bonds6

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55895387) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID55895387
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C25H33N3O4S/c1-16(2)27-33(31,32)22-8-6-7-20(12-22)24(29)26-23-13-21(10-9-19(23)5)25(30)28-14-17(3)11-18(4)15-28/h6-10,12-13,16-18,27H,11,14-15H2,1-5H3,(H,26,29)
InChIKeyQRUNXOJHOJDUCA-UHFFFAOYSA-N
XLogP4.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55993376
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55895253
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 60534600
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119412500
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
CID 60534688
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 55895387) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is QRUNXOJHOJDUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-16(2)27-33(31,32)22-8-6-7-20(12-22)24(29)26-23-13-21(10-9-19(23)5)25(30)28-14-17(3)11-18(4)15-28/h6-10,12-13,16-18,27H,11,14-15H2,1-5H3,(H,26,29).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 471.62 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55895387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).