2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H24N4O4S — CID 46580526

IUPAC2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CSC(C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C19H24N4O4S/c1-11-8-17(23-27-11)22-19(26)13(3)28-10-18(25)20-12(2)15-6-5-7-16(9-15)21-14(4)24/h5-9,12-13H,10H2,1-4H3,(H,20,25)(H,21,24)(H,22,23,26)
InChIKeySTQKXGJSSGTXQN-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.88
Rot. Bonds8

About 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 46580526) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID46580526
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CSC(C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C19H24N4O4S/c1-11-8-17(23-27-11)22-19(26)13(3)28-10-18(25)20-12(2)15-6-5-7-16(9-15)21-14(4)24/h5-9,12-13H,10H2,1-4H3,(H,20,25)(H,21,24)(H,22,23,26)
InChIKeySTQKXGJSSGTXQN-UHFFFAOYSA-N
XLogP2.88
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

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Related Compounds

(2S)-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7935200
N-[4-[(1S)-1-[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 34632388
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
(2R)-2-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25350232
2-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119529575
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
2-[2-(ethoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47129265
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 37466921
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43002731
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 46580526) is 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CC(=O)Nc1cccc(C(C)NC(=O)CSC(C)C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is STQKXGJSSGTXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-11-8-17(23-27-11)22-19(26)13(3)28-10-18(25)20-12(2)15-6-5-7-16(9-15)21-14(4)24/h5-9,12-13H,10H2,1-4H3,(H,20,25)(H,21,24)(H,22,23,26).
What are the key properties of 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 404.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 46580526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).