N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

C17H25N3O3S — CID 53280013

IUPACN-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25N3O3S/c1-4-11-20(24(3,22)23)16-7-5-14(6-8-16)17(21)18-15-9-12-19(2)13-10-15/h4-8,15H,1,9-13H2,2-3H3,(H,18,21)
InChIKeyGVVIHOHLCAPOPM-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.46
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (PubChem CID 53280013) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
PubChem CID53280013
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25N3O3S/c1-4-11-20(24(3,22)23)16-7-5-14(6-8-16)17(21)18-15-9-12-19(2)13-10-15/h4-8,15H,1,9-13H2,2-3H3,(H,18,21)
InChIKeyGVVIHOHLCAPOPM-UHFFFAOYSA-N
XLogP1.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]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

N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960
4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 50945980
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 99971328
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278671
4-[methylsulfonyl(prop-2-enyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30398560
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524
4-[dimethylsulfamoyl(methyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278389
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519859

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (CID 53280013) is N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is C=CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The InChIKey is GVVIHOHLCAPOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-11-20(24(3,22)23)16-7-5-14(6-8-16)17(21)18-15-9-12-19(2)13-10-15/h4-8,15H,1,9-13H2,2-3H3,(H,18,21).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide has a molecular weight of 351.47 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is sourced from PubChem (CID 53280013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).