3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

C17H27N3O3S — CID 51221498

IUPAC3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCCN1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O3S/c1-14-7-3-4-11-20(14)12-6-10-18-17(21)15-8-5-9-16(13-15)19-24(2,22)23/h5,8-9,13-14,19H,3-4,6-7,10-12H2,1-2H3,(H,18,21)
InChIKeyOIZPGJQXDHVQIW-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.05
Rot. Bonds7

About 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 51221498) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
PubChem CID51221498
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCCN1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O3S/c1-14-7-3-4-11-20(14)12-6-10-18-17(21)15-8-5-9-16(13-15)19-24(2,22)23/h5,8-9,13-14,19H,3-4,6-7,10-12H2,1-2H3,(H,18,21)
InChIKeyOIZPGJQXDHVQIW-UHFFFAOYSA-N
XLogP2.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.05
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-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473842
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
5-methyl-N-[3-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871048
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55717526
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 51221498) is 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is CC1CCCCN1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is OIZPGJQXDHVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-7-3-4-11-20(14)12-6-10-18-17(21)15-8-5-9-16(13-15)19-24(2,22)23/h5,8-9,13-14,19H,3-4,6-7,10-12H2,1-2H3,(H,18,21).
What are the key properties of 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 353.49 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 51221498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).