4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide

C19H25NO3S2 — CID 30943293

IUPAC4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(C)c1
InChIInChI=1S/C19H25NO3S2/c1-15-13-16(23-2)8-9-17(15)25(21,22)20-14-19(10-4-3-5-11-19)18-7-6-12-24-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3
InChIKeyRRHQFGQXEYNAHT-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.25
Rot. Bonds6

About 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide

4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 30943293) has the molecular formula C19H25NO3S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
PubChem CID30943293
Molecular FormulaC19H25NO3S2
Molecular Weight379.55 g/mol
Exact Mass379.13
IUPAC Name4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(C)c1
InChIInChI=1S/C19H25NO3S2/c1-15-13-16(23-2)8-9-17(15)25(21,22)20-14-19(10-4-3-5-11-19)18-7-6-12-24-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3
InChIKeyRRHQFGQXEYNAHT-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide (CID 30943293) is 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is RRHQFGQXEYNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S2/c1-15-13-16(23-2)8-9-17(15)25(21,22)20-14-19(10-4-3-5-11-19)18-7-6-12-24-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 379.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30943293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).