5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride

C11H16ClNO3S2 — CID 24688573

IUPAC5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCCCCC(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-2-3-4-10(14)13-8-7-9-5-6-11(17-9)18(12,15)16/h5-6H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyXYODLSQUOCQVAO-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.52
Rot. Bonds7

About 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 24688573) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID24688573
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCCCCC(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-2-3-4-10(14)13-8-7-9-5-6-11(17-9)18(12,15)16/h5-6H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyXYODLSQUOCQVAO-UHFFFAOYSA-N
XLogP2.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride (CID 24688573) is 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride is CCCCC(=O)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is XYODLSQUOCQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-2-3-4-10(14)13-8-7-9-5-6-11(17-9)18(12,15)16/h5-6H,2-4,7-8H2,1H3,(H,13,14).
What are the key properties of 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 309.84 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pentanoylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 24688573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).