5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide

C15H19NO3S2 — CID 110423618

IUPAC5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCc2ccc(O)cc2)s1
InChIInChI=1S/C15H19NO3S2/c1-2-14-9-10-15(20-14)21(18,19)16-11-3-4-12-5-7-13(17)8-6-12/h5-10,16-17H,2-4,11H2,1H3
InChIKeyUSZJJSYUYNEUQA-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.93
Rot. Bonds7

About 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide

5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide (PubChem CID 110423618) has the molecular formula C15H19NO3S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
PubChem CID110423618
Molecular FormulaC15H19NO3S2
Molecular Weight325.45 g/mol
Exact Mass325.08
IUPAC Name5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCc2ccc(O)cc2)s1
InChIInChI=1S/C15H19NO3S2/c1-2-14-9-10-15(20-14)21(18,19)16-11-3-4-12-5-7-13(17)8-6-12/h5-10,16-17H,2-4,11H2,1H3
InChIKeyUSZJJSYUYNEUQA-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
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-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756970
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053362
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide (CID 110423618) is 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCCc2ccc(O)cc2)s1.
What is the InChIKey of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
The InChIKey is USZJJSYUYNEUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-2-14-9-10-15(20-14)21(18,19)16-11-3-4-12-5-7-13(17)8-6-12/h5-10,16-17H,2-4,11H2,1H3.
What are the key properties of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide has a molecular weight of 325.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110423618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).