ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide

C20H24FN3O2S — CID 142476271

IUPACethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCC.CCONC(=O)c1c(Nc2ccc(C)cc2F)sc2ncc(C)cc12
InChIInChI=1S/C18H18FN3O2S.C2H6/c1-4-24-22-16(23)15-12-7-11(3)9-20-17(12)25-18(15)21-14-6-5-10(2)8-13(14)19;1-2/h5-9,21H,4H2,1-3H3,(H,22,23);1-2H3
InChIKeyBXEUYBOGWYRVHO-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.50
Rot. Bonds5

About ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide

ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide (PubChem CID 142476271) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
PubChem CID142476271
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Nameethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCC.CCONC(=O)c1c(Nc2ccc(C)cc2F)sc2ncc(C)cc12
InChIInChI=1S/C18H18FN3O2S.C2H6/c1-4-24-22-16(23)15-12-7-11(3)9-20-17(12)25-18(15)21-14-6-5-10(2)8-13(14)19;1-2/h5-9,21H,4H2,1-3H3,(H,22,23);1-2H3
InChIKeyBXEUYBOGWYRVHO-UHFFFAOYSA-N
XLogP5.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476290
N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476310
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942
5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde
CID 142476320
5-acetyl-N-[(2S)-2,3-dihydroxypropoxy]-2-(2-fluoro-4-methylanilino)-4-propan-2-ylthiophene-3-carboxamide
CID 167133101
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
methyl 5-acetyl-2-(2-fluoro-4-methylanilino)-4-methylthiophene-3-carboxylate
CID 167133053
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971
4-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922222
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide (CID 142476271) is ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide is CC.CCONC(=O)c1c(Nc2ccc(C)cc2F)sc2ncc(C)cc12.
What is the InChIKey of ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is BXEUYBOGWYRVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S.C2H6/c1-4-24-22-16(23)15-12-7-11(3)9-20-17(12)25-18(15)21-14-6-5-10(2)8-13(14)19;1-2/h5-9,21H,4H2,1-3H3,(H,22,23);1-2H3.
What are the key properties of ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 142476271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).