N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide

C19H25N2O4S+ — CID 2481597

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-26(23,24)16-9-7-15(8-10-16)19(22)20-14-17(18-6-5-13-25-18)21-11-3-2-4-12-21/h5-10,13,17H,2-4,11-12,14H2,1H3,(H,20,22)/p+1/t17-/m0/s1
InChIKeyRYOZNPDHKUDYOK-KRWDZBQOSA-O
MW377.49 g/mol
LogP1.22
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide (PubChem CID 2481597) has the molecular formula C19H25N2O4S+ and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide
PubChem CID2481597
Molecular FormulaC19H25N2O4S+
Molecular Weight377.49 g/mol
Exact Mass377.15
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-26(23,24)16-9-7-15(8-10-16)19(22)20-14-17(18-6-5-13-25-18)21-11-3-2-4-12-21/h5-10,13,17H,2-4,11-12,14H2,1H3,(H,20,22)/p+1/t17-/m0/s1
InChIKeyRYOZNPDHKUDYOK-KRWDZBQOSA-O
XLogP1.22
TPSA80.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 7719508
4-(difluoromethylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 8501820
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethoxybenzamide
CID 9404067
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9266520
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668
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
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-methylsulfonylbenzamide
CID 8008228
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 N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide (CID 2481597) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide?
The InChIKey is RYOZNPDHKUDYOK-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H24N2O4S/c1-26(23,24)16-9-7-15(8-10-16)19(22)20-14-17(18-6-5-13-25-18)21-11-3-2-4-12-21/h5-10,13,17H,2-4,11-12,14H2,1H3,(H,20,22)/p+1/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 2481597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).