1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

C20H28N2O3S — CID 16888258

IUPAC1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(C)c(CS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C20H28N2O3S/c1-16-5-6-17(2)19(12-16)15-26(23,24)21-13-18-7-9-22(10-8-18)14-20-4-3-11-25-20/h3-6,11-12,18,21H,7-10,13-15H2,1-2H3
InChIKeyWSANTJYMFWBRHG-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.23
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 16888258) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID16888258
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(C)c(CS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C20H28N2O3S/c1-16-5-6-17(2)19(12-16)15-26(23,24)21-13-18-7-9-22(10-8-18)14-20-4-3-11-25-20/h3-6,11-12,18,21H,7-10,13-15H2,1-2H3
InChIKeyWSANTJYMFWBRHG-UHFFFAOYSA-N
XLogP3.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furylmethyl)piperazine
CID 17376577
N-(2-furylmethyl)-2-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}acetamide
CID 984199
N-(2-furylmethyl)-1-(mesitylsulfonyl)-4-piperidinecarboxamide
CID 1287821
1-(benzylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 1444953
N-(furan-2-ylmethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide
CID 2441538
4-[2-(Furan-2-ylmethylamino)ethyl]benzenesulfonamide
CID 4722624
1-[5-(3,4-Dimethylphenyl)-4-methyl-1,1-dioxido-3-isothiazolyl]-N-[(5-methyl-2-furyl)methyl]-4-piperidinecarboxamide
CID 16026098
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
CID 16303494
N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 2965332
N-(2-furylmethyl)-2-methyl-5-(4-morpholinylsulfonyl)benzamide
CID 2334713
2-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide
CID 45479981
N~1~-(2-furylmethyl)-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 963777

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (CID 16888258) is 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is Cc1ccc(C)c(CS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is WSANTJYMFWBRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-16-5-6-17(2)19(12-16)15-26(23,24)21-13-18-7-9-22(10-8-18)14-20-4-3-11-25-20/h3-6,11-12,18,21H,7-10,13-15H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 16888258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).