2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide

C21H24N2O5S — CID 68855492

IUPAC2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide
SMILESCOc1cccc(C)c1S(=O)(=O)Nc1cc(OC2CCNCC2)c2occc2c1
InChIInChI=1S/C21H24N2O5S/c1-14-4-3-5-18(26-2)21(14)29(24,25)23-16-12-15-8-11-27-20(15)19(13-16)28-17-6-9-22-10-7-17/h3-5,8,11-13,17,22-23H,6-7,9-10H2,1-2H3
InChIKeyWACMHBTVQBSOKO-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.68
Rot. Bonds6

About 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide

2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide (PubChem CID 68855492) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide
PubChem CID68855492
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide
SMILESCOc1cccc(C)c1S(=O)(=O)Nc1cc(OC2CCNCC2)c2occc2c1
InChIInChI=1S/C21H24N2O5S/c1-14-4-3-5-18(26-2)21(14)29(24,25)23-16-12-15-8-11-27-20(15)19(13-16)28-17-6-9-22-10-7-17/h3-5,8,11-13,17,22-23H,6-7,9-10H2,1-2H3
InChIKeyWACMHBTVQBSOKO-UHFFFAOYSA-N
XLogP3.68
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1-benzofuran-5-yl]-2-methoxy-5-methylbenzenesulfonamide;hydrochloride
CID 66893612
N-[7-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1-benzofuran-5-yl]-3-methylbenzenesulfonamide;hydrochloride
CID 66892948
2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 147851269
4-(2,3-dimethylphenoxy)piperidine
CID 24694567
N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide
CID 66893953
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
2-methoxy-5-methyl-N-[7-[(3-methylpiperazin-1-yl)methyl]-1-benzofuran-5-yl]benzenesulfonamide
CID 66893588
2-methoxy-5-methyl-N-[7-[(2-methylpiperazin-1-yl)methyl]-1-benzofuran-5-yl]benzenesulfonamide;dihydrochloride
CID 131728389
N-ethyl-2-piperidin-4-yloxybenzenesulfonamide
CID 62344419
4-(1-benzofuran-4-yloxy)piperidine
CID 84682777
N-[7-[(3-aminopyrrolidin-1-yl)methyl]-1-benzofuran-5-yl]-2-methoxy-5-methylbenzenesulfonamide;hydrochloride
CID 66893978
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide (CID 68855492) is 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide is COc1cccc(C)c1S(=O)(=O)Nc1cc(OC2CCNCC2)c2occc2c1.
What is the InChIKey of 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is WACMHBTVQBSOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-14-4-3-5-18(26-2)21(14)29(24,25)23-16-12-15-8-11-27-20(15)19(13-16)28-17-6-9-22-10-7-17/h3-5,8,11-13,17,22-23H,6-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide?
2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-N-(7-piperidin-4-yloxy-1-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 68855492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).