5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C17H20N2O3S2 — CID 53156228

IUPAC5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1
InChIInChI=1S/C17H20N2O3S2/c1-3-13-4-6-15(7-5-13)18-24(21,22)17-10-14-11-19(12(2)20)9-8-16(14)23-17/h4-7,10,18H,3,8-9,11H2,1-2H3
InChIKeyUIPRQXQZAXRKJC-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.02
Rot. Bonds4

About 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156228) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156228
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1
InChIInChI=1S/C17H20N2O3S2/c1-3-13-4-6-15(7-5-13)18-24(21,22)17-10-14-11-19(12(2)20)9-8-16(14)23-17/h4-7,10,18H,3,8-9,11H2,1-2H3
InChIKeyUIPRQXQZAXRKJC-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156228) is 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CCc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1.
What is the InChIKey of 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is UIPRQXQZAXRKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-3-13-4-6-15(7-5-13)18-24(21,22)17-10-14-11-19(12(2)20)9-8-16(14)23-17/h4-7,10,18H,3,8-9,11H2,1-2H3.
What are the key properties of 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(4-ethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).