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

C17H18N2O4S2 — CID 53156211

IUPAC5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1
InChIInChI=1S/C17H18N2O4S2/c1-11(20)13-3-5-15(6-4-13)18-25(22,23)17-9-14-10-19(12(2)21)8-7-16(14)24-17/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyGFTVVBBJUQDYII-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.66
Rot. Bonds4

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

5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156211) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156211
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1
InChIInChI=1S/C17H18N2O4S2/c1-11(20)13-3-5-15(6-4-13)18-25(22,23)17-9-14-10-19(12(2)21)8-7-16(14)24-17/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyGFTVVBBJUQDYII-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156255
5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156225
5-acetyl-N-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156241
N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide
CID 166364910
N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156309
5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 166242221
5-acetyl-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 131963977
N-[4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]phenyl]acetamide
CID 110300875
2-acetyl-N-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300879
N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156292
5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156338
2-acetyl-N-(5-acetyl-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110618453

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156211) is 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1.
What is the InChIKey of 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is GFTVVBBJUQDYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-11(20)13-3-5-15(6-4-13)18-25(22,23)17-9-14-10-19(12(2)21)8-7-16(14)24-17/h3-6,9,18H,7-8,10H2,1-2H3.
What are the key properties of 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).