2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

C24H25N3O4S — CID 38667988

IUPAC2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H25N3O4S/c1-30-14-13-26-23(28)17-32-22-11-3-2-10-21(22)24(29)27-18-8-6-9-20(15-18)31-16-19-7-4-5-12-25-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyWIAPCXCTECGMMI-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.77
Rot. Bonds11

About 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (PubChem CID 38667988) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
PubChem CID38667988
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H25N3O4S/c1-30-14-13-26-23(28)17-32-22-11-3-2-10-21(22)24(29)27-18-8-6-9-20(15-18)31-16-19-7-4-5-12-25-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyWIAPCXCTECGMMI-UHFFFAOYSA-N
XLogP3.77
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17474009
N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55342144
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42975745
N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 38254442
[2-(3-acetylanilino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55308717
5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 55691116
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56537715
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
3-(3,5-dimethylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55653561

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (CID 38667988) is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is COCCNC(=O)CSc1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The InChIKey is WIAPCXCTECGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-30-14-13-26-23(28)17-32-22-11-3-2-10-21(22)24(29)27-18-8-6-9-20(15-18)31-16-19-7-4-5-12-25-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.77, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 38667988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).