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

C17H20N2O5S2 — CID 53156225

IUPAC5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc(OC)c1
InChIInChI=1S/C17H20N2O5S2/c1-11(20)19-5-4-16-12(10-19)6-17(25-16)26(21,22)18-13-7-14(23-2)9-15(8-13)24-3/h6-9,18H,4-5,10H2,1-3H3
InChIKeyLNEZFWKYLXIMLA-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.47
Rot. Bonds5

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

5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156225) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156225
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc(OC)c1
InChIInChI=1S/C17H20N2O5S2/c1-11(20)19-5-4-16-12(10-19)6-17(25-16)26(21,22)18-13-7-14(23-2)9-15(8-13)24-3/h6-9,18H,4-5,10H2,1-3H3
InChIKeyLNEZFWKYLXIMLA-UHFFFAOYSA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-acetyl-N-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156241
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-[(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
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156283
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-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156309
N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156358
2-acetyl-N-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300869
N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156292
2-acetyl-N-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300879

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156225) is 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is COc1cc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc(OC)c1.
What is the InChIKey of 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is LNEZFWKYLXIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-11(20)19-5-4-16-12(10-19)6-17(25-16)26(21,22)18-13-7-14(23-2)9-15(8-13)24-3/h6-9,18H,4-5,10H2,1-3H3.
What are the key properties of 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 396.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).