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

C16H21NO3S2 — CID 9267847

IUPAC2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C
InChIInChI=1S/C16H21NO3S2/c1-4-7-20-15-9-13(3)16(10-12(15)2)22(18,19)17-11-14-6-5-8-21-14/h5-6,8-10,17H,4,7,11H2,1-3H3
InChIKeyJPPDBKJGGYNQEW-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.63
Rot. Bonds7

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

2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9267847) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9267847
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC Name2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C
InChIInChI=1S/C16H21NO3S2/c1-4-7-20-15-9-13(3)16(10-12(15)2)22(18,19)17-11-14-6-5-8-21-14/h5-6,8-10,17H,4,7,11H2,1-3H3
InChIKeyJPPDBKJGGYNQEW-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9267847) is 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCCOc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C.
What is the InChIKey of 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is JPPDBKJGGYNQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-4-7-20-15-9-13(3)16(10-12(15)2)22(18,19)17-11-14-6-5-8-21-14/h5-6,8-10,17H,4,7,11H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9267847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).