2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

C24H25N3O3S — CID 3917706

IUPAC2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C24H25N3O3S/c1-18(28)27-23(24(29)26-15-20-8-5-13-25-14-20)17-31-22-11-9-21(10-12-22)30-16-19-6-3-2-4-7-19/h2-14,23H,15-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyNPPWCYFJMAKFDB-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.57
Rot. Bonds10

About 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 3917706) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID3917706
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C24H25N3O3S/c1-18(28)27-23(24(29)26-15-20-8-5-13-25-14-20)17-31-22-11-9-21(10-12-22)30-16-19-6-3-2-4-7-19/h2-14,23H,15-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyNPPWCYFJMAKFDB-UHFFFAOYSA-N
XLogP3.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide 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

2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 4029386
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415
N-[1-oxo-3-(4-phenylmethoxyphenyl)sulfanyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3923340
N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4286432
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 3933506
3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide
CID 20978769
[(2R)-3-(4-ethoxyphenyl)-1-oxo-1-[[(2S)-1-oxo-1-[[4-(phenylmethoxycarbonylaminomethyl)phenyl]methylamino]-3-pyridin-3-ylpropan-2-yl]amino]propan-2-yl]carbamic acid
CID 142719686
2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
CID 3275959

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide (CID 3917706) is 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide is CC(=O)NC(CSc1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NPPWCYFJMAKFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18(28)27-23(24(29)26-15-20-8-5-13-25-14-20)17-31-22-11-9-21(10-12-22)30-16-19-6-3-2-4-7-19/h2-14,23H,15-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 435.55 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 3917706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).