N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide

C19H26N2O4S — CID 16888256

IUPACN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C19H26N2O4S/c1-24-18-5-2-4-17(12-18)15-26(22,23)20-13-16-7-9-21(10-8-16)14-19-6-3-11-25-19/h2-6,11-12,16,20H,7-10,13-15H2,1H3
InChIKeyJVCKHXIATNNNTL-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.62
Rot. Bonds8

About N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide (PubChem CID 16888256) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
PubChem CID16888256
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C19H26N2O4S/c1-24-18-5-2-4-17(12-18)15-26(22,23)20-13-16-7-9-21(10-8-16)14-19-6-3-11-25-19/h2-6,11-12,16,20H,7-10,13-15H2,1H3
InChIKeyJVCKHXIATNNNTL-UHFFFAOYSA-N
XLogP2.62
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888258
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16888199
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
CID 130214962
2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888184
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 16888241
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888338

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide (CID 16888256) is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide is COc1cccc(CS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is JVCKHXIATNNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-24-18-5-2-4-17(12-18)15-26(22,23)20-13-16-7-9-21(10-8-16)14-19-6-3-11-25-19/h2-6,11-12,16,20H,7-10,13-15H2,1H3.
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide?
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 16888256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).