N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide

C19H26N2O4S — CID 16888199

IUPACN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1C
InChIInChI=1S/C19H26N2O4S/c1-15-12-18(5-6-19(15)24-2)26(22,23)20-13-16-7-9-21(10-8-16)14-17-4-3-11-25-17/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3
InChIKeyFQSAUBLOVCBQKU-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.79
Rot. Bonds7

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

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 16888199) 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]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID16888199
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1C
InChIInChI=1S/C19H26N2O4S/c1-15-12-18(5-6-19(15)24-2)26(22,23)20-13-16-7-9-21(10-8-16)14-17-4-3-11-25-17/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3
InChIKeyFQSAUBLOVCBQKU-UHFFFAOYSA-N
XLogP2.79
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 16888241
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
CID 130214962
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
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]-1-(3-methoxyphenyl)methanesulfonamide
CID 16888256
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
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
N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 16888232
3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888154
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide (CID 16888199) is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1C.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is FQSAUBLOVCBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15-12-18(5-6-19(15)24-2)26(22,23)20-13-16-7-9-21(10-8-16)14-17-4-3-11-25-17/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3.
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.79, 7 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]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 16888199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).