3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide

C24H24N4O5S2 — CID 171133107

IUPAC3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3sc4nccc(C)c4c3N)cc2)cc1C
InChIInChI=1S/C24H24N4O5S2/c1-13-9-10-26-24-20(13)21(25)22(34-24)23(29)27-15-5-7-16(8-6-15)35(30,31)28-17-11-14(2)18(32-3)12-19(17)33-4/h5-12,28H,25H2,1-4H3,(H,27,29)
InChIKeyGCBPBZLMISZVHA-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.57
Rot. Bonds7

About 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 171133107) has the molecular formula C24H24N4O5S2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID171133107
Molecular FormulaC24H24N4O5S2
Molecular Weight512.61 g/mol
Exact Mass512.12
IUPAC Name3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3sc4nccc(C)c4c3N)cc2)cc1C
InChIInChI=1S/C24H24N4O5S2/c1-13-9-10-26-24-20(13)21(25)22(34-24)23(29)27-15-5-7-16(8-6-15)35(30,31)28-17-11-14(2)18(32-3)12-19(17)33-4/h5-12,28H,25H2,1-4H3,(H,27,29)
InChIKeyGCBPBZLMISZVHA-UHFFFAOYSA-N
XLogP4.57
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
3-amino-N-[4-(diaminomethylideneamino)sulfonylphenyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 170908748
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 106098617
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
3-amino-N-(4-methoxyphenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155201860
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46551243
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 171133107) is 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide is COc1cc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3sc4nccc(C)c4c3N)cc2)cc1C.
What is the InChIKey of 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GCBPBZLMISZVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S2/c1-13-9-10-26-24-20(13)21(25)22(34-24)23(29)27-15-5-7-16(8-6-15)35(30,31)28-17-11-14(2)18(32-3)12-19(17)33-4/h5-12,28H,25H2,1-4H3,(H,27,29).
What are the key properties of 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 171133107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).