N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C21H19ClF3N3O2S — CID 55673175

IUPACN-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1Cl
InChIInChI=1S/C21H19ClF3N3O2S/c1-4-28(5-2)20(30)14-7-6-12(10-15(14)22)26-18(29)17-11(3)13-8-9-16(21(23,24)25)27-19(13)31-17/h6-10H,4-5H2,1-3H3,(H,26,29)
InChIKeyUUDASARKFJDICT-UHFFFAOYSA-N
MW469.92 g/mol
LogP6.01
Rot. Bonds5

About N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 55673175) has the molecular formula C21H19ClF3N3O2S and a molecular weight of 469.92 g/mol. Its IUPAC name is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID55673175
Molecular FormulaC21H19ClF3N3O2S
Molecular Weight469.92 g/mol
Exact Mass469.08
IUPAC NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1Cl
InChIInChI=1S/C21H19ClF3N3O2S/c1-4-28(5-2)20(30)14-7-6-12(10-15(14)22)26-18(29)17-11(3)13-8-9-16(21(23,24)25)27-19(13)31-17/h6-10H,4-5H2,1-3H3,(H,26,29)
InChIKeyUUDASARKFJDICT-UHFFFAOYSA-N
XLogP6.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.92
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55948712
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 55673324
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
N-(4,5-diethoxy-2-nitrophenyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 112818690
N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55779329
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 55673175) is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UUDASARKFJDICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2S/c1-4-28(5-2)20(30)14-7-6-12(10-15(14)22)26-18(29)17-11(3)13-8-9-16(21(23,24)25)27-19(13)31-17/h6-10H,4-5H2,1-3H3,(H,26,29).
What are the key properties of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 469.92 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 55673175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).