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

C16H18N2O3S2 — CID 53156255

IUPAC5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)cc3)cc2C1
InChIInChI=1S/C16H18N2O3S2/c1-11-3-5-14(6-4-11)17-23(20,21)16-9-13-10-18(12(2)19)8-7-15(13)22-16/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyNYZUJLHNPPJZHU-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.76
Rot. Bonds3

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

5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156255) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156255
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)cc3)cc2C1
InChIInChI=1S/C16H18N2O3S2/c1-11-3-5-14(6-4-11)17-23(20,21)16-9-13-10-18(12(2)19)8-7-15(13)22-16/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyNYZUJLHNPPJZHU-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156211
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-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156309
N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156292
N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide
CID 166364910
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
5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156338
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156255) is 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)cc3)cc2C1.
What is the InChIKey of 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is NYZUJLHNPPJZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-11-3-5-14(6-4-11)17-23(20,21)16-9-13-10-18(12(2)19)8-7-15(13)22-16/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 350.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).