N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide

C25H29N3O4S — CID 55993376

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)c1
InChIInChI=1S/C25H29N3O4S/c1-5-11-26-33(31,32)22-8-6-7-20(13-22)24(29)27-23-14-21(10-9-19(23)4)25(30)28-15-17(2)12-18(3)16-28/h1,6-10,13-14,17-18,26H,11-12,15-16H2,2-4H3,(H,27,29)
InChIKeyUYWMZAPZBMCXGE-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.28
Rot. Bonds6

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

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55993376) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55993376
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)c1
InChIInChI=1S/C25H29N3O4S/c1-5-11-26-33(31,32)22-8-6-7-20(13-22)24(29)27-23-14-21(10-9-19(23)4)25(30)28-15-17(2)12-18(3)16-28/h1,6-10,13-14,17-18,26H,11-12,15-16H2,2-4H3,(H,27,29)
InChIKeyUYWMZAPZBMCXGE-UHFFFAOYSA-N
XLogP3.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55895387
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55895253
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 60534600
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46610186
ethyl 5-[[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]carbamoyl]-1H-indole-2-carboxylate
CID 112846194
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27005566

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 55993376) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)c1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is UYWMZAPZBMCXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-5-11-26-33(31,32)22-8-6-7-20(13-22)24(29)27-23-14-21(10-9-19(23)4)25(30)28-15-17(2)12-18(3)16-28/h1,6-10,13-14,17-18,26H,11-12,15-16H2,2-4H3,(H,27,29).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 467.59 g/mol, XLogP of 3.28, 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-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55993376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).