N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide

C20H15ClFN3O2S — CID 158048384

IUPACN-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C20H15ClFN3O2S/c1-11(23)12-2-4-15(16(22)8-12)17(26)9-13-6-7-28-19(13)20(27)25-18-5-3-14(21)10-24-18/h2-8,10,23H,9H2,1H3,(H,24,25,27)/b23-11+
InChIKeyGIYXPBNKZSTQQE-FOKLQQMPSA-N
MW415.88 g/mol
LogP5.00
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 158048384) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID158048384
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C20H15ClFN3O2S/c1-11(23)12-2-4-15(16(22)8-12)17(26)9-13-6-7-28-19(13)20(27)25-18-5-3-14(21)10-24-18/h2-8,10,23H,9H2,1H3,(H,24,25,27)/b23-11+
InChIKeyGIYXPBNKZSTQQE-FOKLQQMPSA-N
XLogP5.00
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
N-(4-chloro-2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-4-(N,N-dimethylcarbamimidoyl)thiophene-2-carboxamide
CID 44565787
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
4-keto-N-(3-methyl-2-pyridyl)-4-(2-thienyl)butyramide
CID 18106997
N-(3-chloro-2-pyridinyl)-2-phenyl-2-(phenylsulfanyl)acetamide
CID 3915320
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
N-(5-chloropyridin-2-yl)-3-(4-(N,N-dimethylcarbamimidoyl)benzamido)thiophene-2-carboxamide
CID 18728144
3-chloro-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 698273
3-chloro-N-(5-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 903387
N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449379

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide (CID 158048384) is N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide is [H]/N=C(\C)c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GIYXPBNKZSTQQE-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c1-11(23)12-2-4-15(16(22)8-12)17(26)9-13-6-7-28-19(13)20(27)25-18-5-3-14(21)10-24-18/h2-8,10,23H,9H2,1H3,(H,24,25,27)/b23-11+.
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 158048384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).