N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C20H20F3N3O4S2 — CID 37001522

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc2nc(C)cc(C(F)(F)F)c2c1C
InChIInChI=1S/C20H20F3N3O4S2/c1-10-8-13(20(21,22)23)16-11(2)17(31-19(16)24-10)18(27)25-14-9-12(6-7-15(14)30-5)32(28,29)26(3)4/h6-9H,1-5H3,(H,25,27)
InChIKeyHXZPEUVFKGDMFS-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.44
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 37001522) has the molecular formula C20H20F3N3O4S2 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID37001522
Molecular FormulaC20H20F3N3O4S2
Molecular Weight487.53 g/mol
Exact Mass487.08
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc2nc(C)cc(C(F)(F)F)c2c1C
InChIInChI=1S/C20H20F3N3O4S2/c1-10-8-13(20(21,22)23)16-11(2)17(31-19(16)24-10)18(27)25-14-9-12(6-7-15(14)30-5)32(28,29)26(3)4/h6-9H,1-5H3,(H,25,27)
InChIKeyHXZPEUVFKGDMFS-UHFFFAOYSA-N
XLogP4.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-ethylthiadiazole-5-carboxamide
CID 9192852
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 8838723
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7750652
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
4-(diethylamino)-N-(2-methoxy-5-nitrophenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4065574
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide
CID 3265897
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 37001522) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc2nc(C)cc(C(F)(F)F)c2c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HXZPEUVFKGDMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4S2/c1-10-8-13(20(21,22)23)16-11(2)17(31-19(16)24-10)18(27)25-14-9-12(6-7-15(14)30-5)32(28,29)26(3)4/h6-9H,1-5H3,(H,25,27).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,6-dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 37001522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).