4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide

C20H28N3O4S+ — CID 7719508

IUPAC4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C20H27N3O4S/c1-22(2)28(25,26)17-10-8-16(9-11-17)20(24)21-15-18(19-7-6-14-27-19)23-12-4-3-5-13-23/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1
InChIKeyJPOSMSMEYIHZHI-GOSISDBHSA-O
MW406.53 g/mol
LogP1.07
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide

4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide (PubChem CID 7719508) has the molecular formula C20H28N3O4S+ and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
PubChem CID7719508
Molecular FormulaC20H28N3O4S+
Molecular Weight406.53 g/mol
Exact Mass406.18
IUPAC Name4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C20H27N3O4S/c1-22(2)28(25,26)17-10-8-16(9-11-17)20(24)21-15-18(19-7-6-14-27-19)23-12-4-3-5-13-23/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1
InChIKeyJPOSMSMEYIHZHI-GOSISDBHSA-O
XLogP1.07
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]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-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide
CID 2481597
4-(difluoromethylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 8501820
4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 7719507
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9266520
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethoxybenzamide
CID 9404067
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668
4-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzamide
CID 126850416
N-[2-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 2565002
4-chloro-N-[3-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 7780349
N-[4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9171913
1-ethyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2558900
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
CID 2470246

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide (CID 7719508) is 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide?
The InChIKey is JPOSMSMEYIHZHI-GOSISDBHSA-O. The full InChI is InChI=1S/C20H27N3O4S/c1-22(2)28(25,26)17-10-8-16(9-11-17)20(24)21-15-18(19-7-6-14-27-19)23-12-4-3-5-13-23/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide?
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide is sourced from PubChem (CID 7719508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).