2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide

C14H17NO2S2 — CID 711867

IUPAC2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccccc2)c(C)s1
InChIInChI=1S/C14H17NO2S2/c1-11-10-14(12(2)18-11)19(16,17)15-9-8-13-6-4-3-5-7-13/h3-7,10,15H,8-9H2,1-2H3
InChIKeySFNLSXIYACSQDY-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.89
Rot. Bonds5

About 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide

2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide (PubChem CID 711867) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
PubChem CID711867
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccccc2)c(C)s1
InChIInChI=1S/C14H17NO2S2/c1-11-10-14(12(2)18-11)19(16,17)15-9-8-13-6-4-3-5-7-13/h3-7,10,15H,8-9H2,1-2H3
InChIKeySFNLSXIYACSQDY-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide (CID 711867) is 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
The InChIKey is SFNLSXIYACSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-11-10-14(12(2)18-11)19(16,17)15-9-8-13-6-4-3-5-7-13/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 711867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).