6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide

C23H23N3O3S — CID 50843863

IUPAC6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCSc2ccc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C23H23N3O3S/c1-2-29-20-11-8-17(9-12-20)22(27)24-14-15-30-21-13-10-18(16-25-21)23(28)26-19-6-4-3-5-7-19/h3-13,16H,2,14-15H2,1H3,(H,24,27)(H,26,28)
InChIKeyYUTROKXDAMJHII-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.25
Rot. Bonds9

About 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide

6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide (PubChem CID 50843863) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
PubChem CID50843863
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCSc2ccc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C23H23N3O3S/c1-2-29-20-11-8-17(9-12-20)22(27)24-14-15-30-21-13-10-18(16-25-21)23(28)26-19-6-4-3-5-7-19/h3-13,16H,2,14-15H2,1H3,(H,24,27)(H,26,28)
InChIKeyYUTROKXDAMJHII-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843835
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685
N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
CID 46896585
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide (CID 50843863) is 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide is CCOc1ccc(C(=O)NCCSc2ccc(C(=O)Nc3ccccc3)cn2)cc1.
What is the InChIKey of 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is YUTROKXDAMJHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-2-29-20-11-8-17(9-12-20)22(27)24-14-15-30-21-13-10-18(16-25-21)23(28)26-19-6-4-3-5-7-19/h3-13,16H,2,14-15H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 50843863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).