5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide

C15H19NO2S3 — CID 86263781

IUPAC5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)s1
InChIInChI=1S/C15H19NO2S3/c1-12-4-5-14(20-12)21(17,18)16-11-15(7-2-3-8-15)13-6-9-19-10-13/h4-6,9-10,16H,2-3,7-8,11H2,1H3
InChIKeyXPPUKEIJGRUFBA-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.91
Rot. Bonds5

About 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide

5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide (PubChem CID 86263781) has the molecular formula C15H19NO2S3 and a molecular weight of 341.52 g/mol. Its IUPAC name is 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide
PubChem CID86263781
Molecular FormulaC15H19NO2S3
Molecular Weight341.52 g/mol
Exact Mass341.06
IUPAC Name5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)s1
InChIInChI=1S/C15H19NO2S3/c1-12-4-5-14(20-12)21(17,18)16-11-15(7-2-3-8-15)13-6-9-19-10-13/h4-6,9-10,16H,2-3,7-8,11H2,1H3
InChIKeyXPPUKEIJGRUFBA-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide (CID 86263781) is 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)s1.
What is the InChIKey of 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide?
The InChIKey is XPPUKEIJGRUFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S3/c1-12-4-5-14(20-12)21(17,18)16-11-15(7-2-3-8-15)13-6-9-19-10-13/h4-6,9-10,16H,2-3,7-8,11H2,1H3.
What are the key properties of 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide has a molecular weight of 341.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 86263781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).