N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide

C13H15NO3S2 — CID 2998241

IUPACN-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-11-4-6-12(7-5-11)17-9-8-14-19(15,16)13-3-2-10-18-13/h2-7,10,14H,8-9H2,1H3
InChIKeyYHYSFZGYCJKJSZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide

N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 2998241) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID2998241
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-11-4-6-12(7-5-11)17-9-8-14-19(15,16)13-3-2-10-18-13/h2-7,10,14H,8-9H2,1H3
InChIKeyYHYSFZGYCJKJSZ-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.41
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-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113100291
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide (CID 2998241) is N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide is Cc1ccc(OCCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is YHYSFZGYCJKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-11-4-6-12(7-5-11)17-9-8-14-19(15,16)13-3-2-10-18-13/h2-7,10,14H,8-9H2,1H3.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2998241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).