N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide

C21H20N2O3S — CID 46399858

IUPACN-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2cccnc2Sc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-25-16-7-5-8-17(15-16)26-14-13-22-20(24)19-11-6-12-23-21(19)27-18-9-3-2-4-10-18/h2-12,15H,13-14H2,1H3,(H,22,24)
InChIKeyQRYVZCLEYQMKRS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 46399858) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID46399858
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)c2cccnc2Sc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-25-16-7-5-8-17(15-16)26-14-13-22-20(24)19-11-6-12-23-21(19)27-18-9-3-2-4-10-18/h2-12,15H,13-14H2,1H3,(H,22,24)
InChIKeyQRYVZCLEYQMKRS-UHFFFAOYSA-N
XLogP4.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 55662586
2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 44775648
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 30892362
N-[2-(3-bromophenoxy)ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55976011
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide
CID 18285449
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
N-[2-(3-methoxyphenoxy)ethyl]-2-methylfuran-3-carboxamide
CID 46400217
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 46399858) is N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide is COc1cccc(OCCNC(=O)c2cccnc2Sc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is QRYVZCLEYQMKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-25-16-7-5-8-17(15-16)26-14-13-22-20(24)19-11-6-12-23-21(19)27-18-9-3-2-4-10-18/h2-12,15H,13-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46399858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).