N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide

C20H31N3O3S — CID 55717526

IUPACN-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCCCCN2CCCCC2C)c1
InChIInChI=1S/C20H31N3O3S/c1-3-12-22-27(25,26)19-11-8-10-18(16-19)20(24)21-13-5-7-15-23-14-6-4-9-17(23)2/h3,8,10-11,16-17,22H,1,4-7,9,12-15H2,2H3,(H,21,24)
InChIKeyYRGCDVXVEJDVGK-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.54
Rot. Bonds10

About N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55717526) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55717526
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCCCCN2CCCCC2C)c1
InChIInChI=1S/C20H31N3O3S/c1-3-12-22-27(25,26)19-11-8-10-18(16-19)20(24)21-13-5-7-15-23-14-6-4-9-17(23)2/h3,8,10-11,16-17,22H,1,4-7,9,12-15H2,2H3,(H,21,24)
InChIKeyYRGCDVXVEJDVGK-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 55717526) is N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCCCCN2CCCCC2C)c1.
What is the InChIKey of N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is YRGCDVXVEJDVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-3-12-22-27(25,26)19-11-8-10-18(16-19)20(24)21-13-5-7-15-23-14-6-4-9-17(23)2/h3,8,10-11,16-17,22H,1,4-7,9,12-15H2,2H3,(H,21,24).
What are the key properties of N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 393.55 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55717526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).