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

C19H26N2O3S2 — CID 16888320

IUPAC4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1
InChIInChI=1S/C19H26N2O3S2/c1-15-12-17(24-2)5-6-19(15)26(22,23)20-13-16-7-9-21(10-8-16)14-18-4-3-11-25-18/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3
InChIKeyVPPXFKMUZOSUOQ-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.26
Rot. Bonds7

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

4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888320) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888320
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC Name4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1
InChIInChI=1S/C19H26N2O3S2/c1-15-12-17(24-2)5-6-19(15)26(22,23)20-13-16-7-9-21(10-8-16)14-18-4-3-11-25-18/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3
InChIKeyVPPXFKMUZOSUOQ-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888320) is 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is VPPXFKMUZOSUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-15-12-17(24-2)5-6-19(15)26(22,23)20-13-16-7-9-21(10-8-16)14-18-4-3-11-25-18/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 394.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).