N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

C21H22N2O4S — CID 86927332

IUPACN-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCc1ccc(NC(=O)CS(=O)Cc2coc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-15-4-8-17(9-5-15)22-20(24)14-28(25)13-18-12-27-21(23-18)16-6-10-19(26-2)11-7-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyYBTOGMNTNDDITO-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.80
Rot. Bonds8

About N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 86927332) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID86927332
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCc1ccc(NC(=O)CS(=O)Cc2coc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-15-4-8-17(9-5-15)22-20(24)14-28(25)13-18-12-27-21(23-18)16-6-10-19(26-2)11-7-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyYBTOGMNTNDDITO-UHFFFAOYSA-N
XLogP3.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 38640316
2-[ethyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 17465917
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
CID 24656339
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9134946
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
N-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3600264
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 86927332) is N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is CCc1ccc(NC(=O)CS(=O)Cc2coc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is YBTOGMNTNDDITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-15-4-8-17(9-5-15)22-20(24)14-28(25)13-18-12-27-21(23-18)16-6-10-19(26-2)11-7-16/h4-12H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 86927332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).