N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide

C15H19NO4S2 — CID 6498917

IUPACN-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccs2)cc1OCC
InChIInChI=1S/C15H19NO4S2/c1-3-19-13-8-7-12(10-14(13)20-4-2)11-16-22(17,18)15-6-5-9-21-15/h5-10,16H,3-4,11H2,1-2H3
InChIKeyYHJOBGZVQFXOGK-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.02
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide

N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 6498917) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID6498917
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccs2)cc1OCC
InChIInChI=1S/C15H19NO4S2/c1-3-19-13-8-7-12(10-14(13)20-4-2)11-16-22(17,18)15-6-5-9-21-15/h5-10,16H,3-4,11H2,1-2H3
InChIKeyYHJOBGZVQFXOGK-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide (CID 6498917) is N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2cccs2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is YHJOBGZVQFXOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-3-19-13-8-7-12(10-14(13)20-4-2)11-16-22(17,18)15-6-5-9-21-15/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide?
N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 341.45 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6498917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).