3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

C18H29N3O3S — CID 55717869

IUPAC3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN2CCCC(C)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-14-6-4-10-21(13-14)11-5-9-19-18(22)16-8-7-15(2)17(12-16)20-25(3,23)24/h7-8,12,14,20H,4-6,9-11,13H2,1-3H3,(H,19,22)
InChIKeyOASHVKJVMJIGGB-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.22
Rot. Bonds7

About 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 55717869) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID55717869
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN2CCCC(C)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-14-6-4-10-21(13-14)11-5-9-19-18(22)16-8-7-15(2)17(12-16)20-25(3,23)24/h7-8,12,14,20H,4-6,9-11,13H2,1-3H3,(H,19,22)
InChIKeyOASHVKJVMJIGGB-UHFFFAOYSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3-(methanesulfonamido)-4-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 51948213
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
CID 86990789
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55765667

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (CID 55717869) is 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is Cc1ccc(C(=O)NCCCN2CCCC(C)C2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is OASHVKJVMJIGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-6-4-10-21(13-14)11-5-9-19-18(22)16-8-7-15(2)17(12-16)20-25(3,23)24/h7-8,12,14,20H,4-6,9-11,13H2,1-3H3,(H,19,22).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 367.52 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 55717869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).