2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide

C20H27N3O3S — CID 91624844

IUPAC2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(c2cccnc2)CC1
InChIInChI=1S/C20H27N3O3S/c1-15-11-19(26-3)20(12-16(15)2)27(24,25)22-13-17-6-9-23(10-7-17)18-5-4-8-21-14-18/h4-5,8,11-12,14,17,22H,6-7,9-10,13H2,1-3H3
InChIKeyNPHBLJCGTGZOJS-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.90
Rot. Bonds6

About 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 91624844) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID91624844
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(c2cccnc2)CC1
InChIInChI=1S/C20H27N3O3S/c1-15-11-19(26-3)20(12-16(15)2)27(24,25)22-13-17-6-9-23(10-7-17)18-5-4-8-21-14-18/h4-5,8,11-12,14,17,22H,6-7,9-10,13H2,1-3H3
InChIKeyNPHBLJCGTGZOJS-UHFFFAOYSA-N
XLogP2.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624841
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
CID 91624852
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887983
2,4-dimethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521198
5-ethyl-2-methoxy-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108330
2-methoxy-4,5-dimethyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100683378
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 91624844) is 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(c2cccnc2)CC1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is NPHBLJCGTGZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-11-19(26-3)20(12-16(15)2)27(24,25)22-13-17-6-9-23(10-7-17)18-5-4-8-21-14-18/h4-5,8,11-12,14,17,22H,6-7,9-10,13H2,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91624844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).