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

C17H19FN2O3S2 — CID 53156309

IUPACN-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(F)c(C)c3)cc2C1
InChIInChI=1S/C17H19FN2O3S2/c1-3-16(21)20-7-6-15-12(10-20)9-17(24-15)25(22,23)19-13-4-5-14(18)11(2)8-13/h4-5,8-9,19H,3,6-7,10H2,1-2H3
InChIKeyACKHINLIAWUAEM-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.29
Rot. Bonds4

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

N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156309) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156309
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(F)c(C)c3)cc2C1
InChIInChI=1S/C17H19FN2O3S2/c1-3-16(21)20-7-6-15-12(10-20)9-17(24-15)25(22,23)19-13-4-5-14(18)11(2)8-13/h4-5,8-9,19H,3,6-7,10H2,1-2H3
InChIKeyACKHINLIAWUAEM-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156292
5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156255
5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156211
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156283
3-chloro-4-fluoro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16943813
5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156225
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913
5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156338
4-ethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16943799
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
1-(4-fluorophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
CID 16943876
4-fluoro-3-methyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16944128

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156309) is N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(F)c(C)c3)cc2C1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is ACKHINLIAWUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c1-3-16(21)20-7-6-15-12(10-20)9-17(24-15)25(22,23)19-13-4-5-14(18)11(2)8-13/h4-5,8-9,19H,3,6-7,10H2,1-2H3.
What are the key properties of N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 382.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).