5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C20H21ClN2O2S — CID 123870514

IUPAC5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2C)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-10-16-11(2)18(26-20(16)23-13(4)17(10)21)19(24)22-12(3)14-6-8-15(25-5)9-7-14/h6-9,12H,1-5H3,(H,22,24)
InChIKeyQRLYUHIVVODATH-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.37
Rot. Bonds4

About 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 123870514) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID123870514
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2C)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-10-16-11(2)18(26-20(16)23-13(4)17(10)21)19(24)22-12(3)14-6-8-15(25-5)9-7-14/h6-9,12H,1-5H3,(H,22,24)
InChIKeyQRLYUHIVVODATH-UHFFFAOYSA-N
XLogP5.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 121479811
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24635446
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18290500
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 95058276

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 123870514) is 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(C(C)NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2C)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QRLYUHIVVODATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-10-16-11(2)18(26-20(16)23-13(4)17(10)21)19(24)22-12(3)14-6-8-15(25-5)9-7-14/h6-9,12H,1-5H3,(H,22,24).
What are the key properties of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 388.92 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 123870514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).