N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide

C19H14ClFN4O2S — CID 59089763

IUPACN-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C19H14ClFN4O2S/c1-10(22)11-2-4-13(14(21)8-11)18(26)24-15-6-7-28-17(15)19(27)25-16-5-3-12(20)9-23-16/h2-9,22H,1H3,(H,24,26)(H,23,25,27)/b22-10+
InChIKeyCSZGGRCMNVYGBF-LSHDLFTRSA-N
MW416.87 g/mol
LogP4.83
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide (PubChem CID 59089763) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide
PubChem CID59089763
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide
SMILES[H]/N=C(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C19H14ClFN4O2S/c1-10(22)11-2-4-13(14(21)8-11)18(26)24-15-6-7-28-17(15)19(27)25-16-5-3-12(20)9-23-16/h2-9,22H,1H3,(H,24,26)(H,23,25,27)/b22-10+
InChIKeyCSZGGRCMNVYGBF-LSHDLFTRSA-N
XLogP4.83
TPSA94.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropyridin-2-yl)-2-[((4-((4-methylpiperazin-1-yl)methyl)chlorothiophen-2-yl)carbonyl)amino]-5-chlorobenzamide
CID 16731823
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylsulfanylbenzamide
CID 44565740
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
N-(5-chloropyridin-2-yl)-2-(4-(imino(thiomorpholino)methyl)benzamido)benzamide
CID 9826433
3-chloro-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 18376800
3-chloro-N-[4-methyl-2-(pyridin-2-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376999
N-(5-chloropyridin-2-yl)-3-(4-(N,N-dimethylcarbamimidoyl)benzamido)thiophene-2-carboxamide
CID 18728144
2-[(5-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127140
2-[(5-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127142
2-[(4-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127144

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide (CID 59089763) is N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide is [H]/N=C(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide?
The InChIKey is CSZGGRCMNVYGBF-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c1-10(22)11-2-4-13(14(21)8-11)18(26)24-15-6-7-28-17(15)19(27)25-16-5-3-12(20)9-23-16/h2-9,22H,1H3,(H,24,26)(H,23,25,27)/b22-10+.
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 59089763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).