3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide

C21H19N3O3S — CID 19630369

IUPAC3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SCC(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C21H19N3O3S/c1-27-17-6-4-5-15(13-17)21(26)23-16-8-10-18(11-9-16)28-14-20(25)24-19-7-2-3-12-22-19/h2-13H,14H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyMLBNLRYZNCWFGM-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.07
Rot. Bonds7

About 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide

3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide (PubChem CID 19630369) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
PubChem CID19630369
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SCC(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C21H19N3O3S/c1-27-17-6-4-5-15(13-17)21(26)23-16-8-10-18(11-9-16)28-14-20(25)24-19-7-2-3-12-22-19/h2-13H,14H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyMLBNLRYZNCWFGM-UHFFFAOYSA-N
XLogP4.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22778750
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22782821
3-methoxy-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19631535
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22781328
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
N-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23099491
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
CID 22779665
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide (CID 19630369) is 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide is COc1cccc(C(=O)Nc2ccc(SCC(=O)Nc3ccccn3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
The InChIKey is MLBNLRYZNCWFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-27-17-6-4-5-15(13-17)21(26)23-16-8-10-18(11-9-16)28-14-20(25)24-19-7-2-3-12-22-19/h2-13H,14H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19630369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).