N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide

C15H19NO3S2 — CID 51307272

IUPACN-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide
SMILESCC(OCCCNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H19NO3S2/c1-13(14-7-3-2-4-8-14)19-11-6-10-16-21(17,18)15-9-5-12-20-15/h2-5,7-9,12-13,16H,6,10-11H2,1H3
InChIKeyQAPVYIDOHLQEPC-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.19
Rot. Bonds8

About N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide

N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide (PubChem CID 51307272) has the molecular formula C15H19NO3S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide
PubChem CID51307272
Molecular FormulaC15H19NO3S2
Molecular Weight325.45 g/mol
Exact Mass325.08
IUPAC NameN-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide
SMILESCC(OCCCNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H19NO3S2/c1-13(14-7-3-2-4-8-14)19-11-6-10-16-21(17,18)15-9-5-12-20-15/h2-5,7-9,12-13,16H,6,10-11H2,1H3
InChIKeyQAPVYIDOHLQEPC-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113100291
3-N-[3-(1-phenylethoxy)propyl]benzene-1,3-disulfonamide
CID 55697459
N-pentylthiophene-2-sulfonamide
CID 5150701
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide (CID 51307272) is N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide is CC(OCCCNS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide?
The InChIKey is QAPVYIDOHLQEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-13(14-7-3-2-4-8-14)19-11-6-10-16-21(17,18)15-9-5-12-20-15/h2-5,7-9,12-13,16H,6,10-11H2,1H3.
What are the key properties of N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide?
N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide has a molecular weight of 325.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51307272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).