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

C18H22N2O3S2 — CID 53156292

IUPACN-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)cc3C)cc2C1
InChIInChI=1S/C18H22N2O3S2/c1-4-17(21)20-8-7-16-14(11-20)10-18(24-16)25(22,23)19-15-6-5-12(2)9-13(15)3/h5-6,9-10,19H,4,7-8,11H2,1-3H3
InChIKeyAUGCPRFCHCGLIF-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.46
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156292) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156292
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)cc3C)cc2C1
InChIInChI=1S/C18H22N2O3S2/c1-4-17(21)20-8-7-16-14(11-20)10-18(24-16)25(22,23)19-15-6-5-12(2)9-13(15)3/h5-6,9-10,19H,4,7-8,11H2,1-3H3
InChIKeyAUGCPRFCHCGLIF-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156309
5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156255
5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156338
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156283
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156211
5-acetyl-N-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156241
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
CID 86915821
5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156225
1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 53158851
N-[(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonyl]-1-amino-2,2-dimethylcyclopropane-1-carboxamide
CID 166364910

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156292) is N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)cc3C)cc2C1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is AUGCPRFCHCGLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-4-17(21)20-8-7-16-14(11-20)10-18(24-16)25(22,23)19-15-6-5-12(2)9-13(15)3/h5-6,9-10,19H,4,7-8,11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).