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

C18H30N2O3S — CID 16887550

IUPAC2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O3S/c1-13(2)20-8-6-16(7-9-20)12-19-24(21,22)18-11-15(4)14(3)10-17(18)23-5/h10-11,13,16,19H,6-9,12H2,1-5H3
InChIKeyCCCGWVUJEUGJPZ-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.71
Rot. Bonds6

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

2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887550) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887550
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O3S/c1-13(2)20-8-6-16(7-9-20)12-19-24(21,22)18-11-15(4)14(3)10-17(18)23-5/h10-11,13,16,19H,6-9,12H2,1-5H3
InChIKeyCCCGWVUJEUGJPZ-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887550) is 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is CCCGWVUJEUGJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-13(2)20-8-6-16(7-9-20)12-19-24(21,22)18-11-15(4)14(3)10-17(18)23-5/h10-11,13,16,19H,6-9,12H2,1-5H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).