(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C20H15F3N2O2S2 — CID 26433568

IUPAC(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1ccsc1)CC(=O)N2
InChIInChI=1S/C20H15F3N2O2S2/c1-10-16-14(11-5-6-28-9-11)8-15(26)25-19(16)29-17(10)18(27)24-13-4-2-3-12(7-13)20(21,22)23/h2-7,9,14H,8H2,1H3,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyLXFJGNSIUJJBCF-AWEZNQCLSA-N
MW436.48 g/mol
LogP5.86
Rot. Bonds3

About (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 26433568) has the molecular formula C20H15F3N2O2S2 and a molecular weight of 436.48 g/mol. Its IUPAC name is (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID26433568
Molecular FormulaC20H15F3N2O2S2
Molecular Weight436.48 g/mol
Exact Mass436.05
IUPAC Name(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1ccsc1)CC(=O)N2
InChIInChI=1S/C20H15F3N2O2S2/c1-10-16-14(11-5-6-28-9-11)8-15(26)25-19(16)29-17(10)18(27)24-13-4-2-3-12(7-13)20(21,22)23/h2-7,9,14H,8H2,1H3,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyLXFJGNSIUJJBCF-AWEZNQCLSA-N
XLogP5.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433593
4-(2,6-difluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42653416
(4R)-N-(2-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39343003
(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433613
(4R,7S)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848773
N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42654785
methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 1129095
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 4764229
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401847
(4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401843

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 26433568) is (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1ccsc1)CC(=O)N2.
What is the InChIKey of (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LXFJGNSIUJJBCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H15F3N2O2S2/c1-10-16-14(11-5-6-28-9-11)8-15(26)25-19(16)29-17(10)18(27)24-13-4-2-3-12(7-13)20(21,22)23/h2-7,9,14H,8H2,1H3,(H,24,27)(H,25,26)/t14-/m0/s1.
What are the key properties of (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 26433568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).