4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17NO3S2 — CID 1256404

IUPAC4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C
InChIInChI=1S/C14H17NO3S2/c1-10-8-14(11(2)7-13(10)18-3)20(16,17)15-9-12-5-4-6-19-12/h4-8,15H,9H2,1-3H3
InChIKeyYCOUOYHRCJNLTA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.85
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 1256404) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID1256404
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C
InChIInChI=1S/C14H17NO3S2/c1-10-8-14(11(2)7-13(10)18-3)20(16,17)15-9-12-5-4-6-19-12/h4-8,15H,9H2,1-3H3
InChIKeyYCOUOYHRCJNLTA-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 1256404) is 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is YCOUOYHRCJNLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-10-8-14(11(2)7-13(10)18-3)20(16,17)15-9-12-5-4-6-19-12/h4-8,15H,9H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1256404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).