N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide

C16H23N3O3S — CID 31098524

IUPACN-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H23N3O3S/c1-3-10-17-23(21,22)15-6-4-13(5-7-15)16(20)18-14-8-11-19(2)12-9-14/h3-7,14,17H,1,8-12H2,2H3,(H,18,20)
InChIKeyJLRTXDMOBBOSPB-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.97
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide

N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 31098524) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID31098524
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H23N3O3S/c1-3-10-17-23(21,22)15-6-4-13(5-7-15)16(20)18-14-8-11-19(2)12-9-14/h3-7,14,17H,1,8-12H2,2H3,(H,18,20)
InChIKeyJLRTXDMOBBOSPB-UHFFFAOYSA-N
XLogP0.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001
[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]boronic acid
CID 140843225
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 9453861
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828392
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(prop-2-enylsulfamoyl)benzamide
CID 41041142
[2-(cyclopentylamino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828443
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8955010
4-[(1-methylpyrrolidin-3-yl)carbamoyl]benzenesulfonyl fluoride
CID 156645477

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide (CID 31098524) is N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is JLRTXDMOBBOSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-10-17-23(21,22)15-6-4-13(5-7-15)16(20)18-14-8-11-19(2)12-9-14/h3-7,14,17H,1,8-12H2,2H3,(H,18,20).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 337.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 31098524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).