2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide

C25H30N4O5S — CID 26943724

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(CC(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C25H30N4O5S/c1-5-19-11-7-9-13-21(19)26-23(30)15-29(35(32,33)25-17(3)28-34-18(25)4)16-24(31)27-22-14-10-8-12-20(22)6-2/h7-14H,5-6,15-16H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyQSPWGYWXUFGYPK-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.68
Rot. Bonds10

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide (PubChem CID 26943724) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide
PubChem CID26943724
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(CC(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C25H30N4O5S/c1-5-19-11-7-9-13-21(19)26-23(30)15-29(35(32,33)25-17(3)28-34-18(25)4)16-24(31)27-22-14-10-8-12-20(22)6-2/h7-14H,5-6,15-16H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyQSPWGYWXUFGYPK-UHFFFAOYSA-N
XLogP3.68
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 17414736
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682248
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8002079
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522653
N-ethyl-3,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
CID 26356736
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-ethylphenyl)acetamide
CID 20858939
N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 67575573

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide (CID 26943724) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(CC(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is QSPWGYWXUFGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-5-19-11-7-9-13-21(19)26-23(30)15-29(35(32,33)25-17(3)28-34-18(25)4)16-24(31)27-22-14-10-8-12-20(22)6-2/h7-14H,5-6,15-16H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 498.61 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 26943724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).