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

C18H22N2O3S2 — CID 53156247

IUPAC5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2C1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)14-4-6-16(7-5-14)19-25(22,23)18-10-15-11-20(13(3)21)9-8-17(15)24-18/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyKVANYPOJRZUUIA-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.58
Rot. Bonds4

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

5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156247) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156247
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2C1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)14-4-6-16(7-5-14)19-25(22,23)18-10-15-11-20(13(3)21)9-8-17(15)24-18/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyKVANYPOJRZUUIA-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.58
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-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156247) is 5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2C1.
What is the InChIKey of 5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is KVANYPOJRZUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12(2)14-4-6-16(7-5-14)19-25(22,23)18-10-15-11-20(13(3)21)9-8-17(15)24-18/h4-7,10,12,19H,8-9,11H2,1-3H3.
What are the key properties of 5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.58, 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-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).