N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide

C21H25N3O3S — CID 17473471

IUPACN-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-2-14-22-28(26,27)20-12-6-17(7-13-20)21(25)23-18-8-10-19(11-9-18)24-15-4-3-5-16-24/h2,6-13,22H,1,3-5,14-16H2,(H,23,25)
InChIKeyNLWZFUBIZJABBX-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.39
Rot. Bonds7

About N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 17473471) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID17473471
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-2-14-22-28(26,27)20-12-6-17(7-13-20)21(25)23-18-8-10-19(11-9-18)24-15-4-3-5-16-24/h2,6-13,22H,1,3-5,14-16H2,(H,23,25)
InChIKeyNLWZFUBIZJABBX-UHFFFAOYSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813935
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
N-[4-(prop-2-enylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2990833
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55347891
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 17473471) is N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is NLWZFUBIZJABBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-2-14-22-28(26,27)20-12-6-17(7-13-20)21(25)23-18-8-10-19(11-9-18)24-15-4-3-5-16-24/h2,6-13,22H,1,3-5,14-16H2,(H,23,25).
What are the key properties of N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 17473471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).