N-tert-butyl-5-butylthiophene-2-sulfonamide

C12H21NO2S2 — CID 11993904

IUPACN-tert-butyl-5-butylthiophene-2-sulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C12H21NO2S2/c1-5-6-7-10-8-9-11(16-10)17(14,15)13-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyPBBBSXJIJYCYNZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.17
Rot. Bonds5

About N-tert-butyl-5-butylthiophene-2-sulfonamide

N-tert-butyl-5-butylthiophene-2-sulfonamide (PubChem CID 11993904) has the molecular formula C12H21NO2S2 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-5-butylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-butylthiophene-2-sulfonamide
PubChem CID11993904
Molecular FormulaC12H21NO2S2
Molecular Weight275.44 g/mol
Exact Mass275.10
IUPAC NameN-tert-butyl-5-butylthiophene-2-sulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C12H21NO2S2/c1-5-6-7-10-8-9-11(16-10)17(14,15)13-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyPBBBSXJIJYCYNZ-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-5-butylthiophene-2-sulfonamide 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 N-tert-butyl-5-butylthiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-butylthiophene-2-sulfonamide (CID 11993904) is N-tert-butyl-5-butylthiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-butylthiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-butylthiophene-2-sulfonamide is CCCCc1ccc(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-butylthiophene-2-sulfonamide?
The InChIKey is PBBBSXJIJYCYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S2/c1-5-6-7-10-8-9-11(16-10)17(14,15)13-12(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-5-butylthiophene-2-sulfonamide?
N-tert-butyl-5-butylthiophene-2-sulfonamide has a molecular weight of 275.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-butylthiophene-2-sulfonamide is sourced from PubChem (CID 11993904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).