4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17NO4S2 — CID 35299415

IUPAC4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H17NO4S2/c1-18-8-9-19-12-4-6-14(7-5-12)21(16,17)15-11-13-3-2-10-20-13/h2-7,10,15H,8-9,11H2,1H3
InChIKeyBZIYAOZFYLZJDF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.25
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 35299415) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID35299415
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC Name4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H17NO4S2/c1-18-8-9-19-12-4-6-14(7-5-12)21(16,17)15-11-13-3-2-10-20-13/h2-7,10,15H,8-9,11H2,1H3
InChIKeyBZIYAOZFYLZJDF-UHFFFAOYSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202847
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35389739
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202750
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38579697

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 35299415) is 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is BZIYAOZFYLZJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-18-8-9-19-12-4-6-14(7-5-12)21(16,17)15-11-13-3-2-10-20-13/h2-7,10,15H,8-9,11H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 35299415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).