2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C20H27N3O3S — CID 16888118

IUPAC2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H27N3O3S/c1-16-6-7-19(26-2)20(13-16)27(24,25)22-14-17-8-11-23(12-9-17)15-18-5-3-4-10-21-18/h3-7,10,13,17,22H,8-9,11-12,14-15H2,1-2H3
InChIKeyWYBQXEPMBQQIQE-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.59
Rot. Bonds7

About 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888118) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888118
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H27N3O3S/c1-16-6-7-19(26-2)20(13-16)27(24,25)22-14-17-8-11-23(12-9-17)15-18-5-3-4-10-21-18/h3-7,10,13,17,22H,8-9,11-12,14-15H2,1-2H3
InChIKeyWYBQXEPMBQQIQE-UHFFFAOYSA-N
XLogP2.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888154
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888102
5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887983
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 20936132
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888118) is 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is WYBQXEPMBQQIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16-6-7-19(26-2)20(13-16)27(24,25)22-14-17-8-11-23(12-9-17)15-18-5-3-4-10-21-18/h3-7,10,13,17,22H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).