N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide

C15H18BrNO2S2 — CID 105060223

IUPACN-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(CBr)c2ccccc2)s1
InChIInChI=1S/C15H18BrNO2S2/c1-3-13-9-10-14(20-13)21(18,19)17-15(2,11-16)12-7-5-4-6-8-12/h4-10,17H,3,11H2,1-2H3
InChIKeyIIKYNIARUQCUEN-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.90
Rot. Bonds6

About N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide

N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide (PubChem CID 105060223) has the molecular formula C15H18BrNO2S2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide
PubChem CID105060223
Molecular FormulaC15H18BrNO2S2
Molecular Weight388.35 g/mol
Exact Mass387.00
IUPAC NameN-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(CBr)c2ccccc2)s1
InChIInChI=1S/C15H18BrNO2S2/c1-3-13-9-10-14(20-13)21(18,19)17-15(2,11-16)12-7-5-4-6-8-12/h4-10,17H,3,11H2,1-2H3
InChIKeyIIKYNIARUQCUEN-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-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

Related Compounds

5-ethyl-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 110664046
5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
CID 115754090
5-ethyl-N-(2,4,4-trimethylpentan-2-yl)thiophene-2-sulfonamide
CID 60530946
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060233
3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060255
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 56511437
5-ethyl-N-phenacylthiophene-2-sulfonamide
CID 64993884
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
5-ethylthiophene-2-sulfonyl bromide
CID 119092797
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide (CID 105060223) is N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC(C)(CBr)c2ccccc2)s1.
What is the InChIKey of N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is IIKYNIARUQCUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S2/c1-3-13-9-10-14(20-13)21(18,19)17-15(2,11-16)12-7-5-4-6-8-12/h4-10,17H,3,11H2,1-2H3.
What are the key properties of N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide?
N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 388.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 105060223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).