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

C20H27N3O4S — CID 7719507

IUPAC4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)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)/t18-/m0/s1
InChIKeyJPOSMSMEYIHZHI-SFHVURJKSA-N
MW405.52 g/mol
LogP2.49
Rot. Bonds7

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

4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 7719507) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID7719507
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)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)/t18-/m0/s1
InChIKeyJPOSMSMEYIHZHI-SFHVURJKSA-N
XLogP2.49
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 41105028
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 41105030
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
CID 26795013
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 7719508
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 7719507) is 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is JPOSMSMEYIHZHI-SFHVURJKSA-N. 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)/t18-/m0/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 7719507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).