N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide

C22H20N2O3S2 — CID 53250243

IUPACN-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCOc1cccc(-c2c(C)sc3nc(C)cc(NS(=O)(=O)c4ccccc4)c23)c1
InChIInChI=1S/C22H20N2O3S2/c1-14-12-19(24-29(25,26)18-10-5-4-6-11-18)21-20(15(2)28-22(21)23-14)16-8-7-9-17(13-16)27-3/h4-13H,1-3H3,(H,23,24)
InChIKeyWVQAGYCKQIDWBP-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.39
Rot. Bonds5

About N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide

N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 53250243) has the molecular formula C22H20N2O3S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
PubChem CID53250243
Molecular FormulaC22H20N2O3S2
Molecular Weight424.55 g/mol
Exact Mass424.09
IUPAC NameN-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCOc1cccc(-c2c(C)sc3nc(C)cc(NS(=O)(=O)c4ccccc4)c23)c1
InChIInChI=1S/C22H20N2O3S2/c1-14-12-19(24-29(25,26)18-10-5-4-6-11-18)21-20(15(2)28-22(21)23-14)16-8-7-9-17(13-16)27-3/h4-13H,1-3H3,(H,23,24)
InChIKeyWVQAGYCKQIDWBP-UHFFFAOYSA-N
XLogP5.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(3-methoxyphenyl)-3,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250695
benzyl 4-iodo-4-[[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]sulfamoyl]piperidine-1-carboxylate
CID 70812778
3-chloro-N-[2,6-dimethyl-3-(1H-pyrrol-3-yl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250697
N-[2,6-dimethyl-3-(3-methylphenyl)thieno[2,3-b]pyridin-4-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 70808899
3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250394
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808888
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808881
5-(3-methoxyphenyl)-6-methyl-2-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868102
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(1,2-oxazol-4-yl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808924
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 148643253
4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
CID 135086781

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide (CID 53250243) is N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide is COc1cccc(-c2c(C)sc3nc(C)cc(NS(=O)(=O)c4ccccc4)c23)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is WVQAGYCKQIDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S2/c1-14-12-19(24-29(25,26)18-10-5-4-6-11-18)21-20(15(2)28-22(21)23-14)16-8-7-9-17(13-16)27-3/h4-13H,1-3H3,(H,23,24).
What are the key properties of N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 424.55 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 53250243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).