2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide

C19H18N2O2S — CID 87008284

IUPAC2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14-3-2-4-15(9-14)11-24-12-19(22)21-17-7-5-16(6-8-17)18-10-20-13-23-18/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyFJSFEHMOIABKGV-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.52
Rot. Bonds6

About 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide

2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 87008284) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID87008284
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14-3-2-4-15(9-14)11-24-12-19(22)21-17-7-5-16(6-8-17)18-10-20-13-23-18/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyFJSFEHMOIABKGV-UHFFFAOYSA-N
XLogP4.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17297052
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1293770
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
2-[(3-methylphenyl)methylsulfanyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559198
2-[benzyl(methyl)amino]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 86873274

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide (CID 87008284) is 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide is Cc1cccc(CSCC(=O)Nc2ccc(-c3cnco3)cc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is FJSFEHMOIABKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-3-2-4-15(9-14)11-24-12-19(22)21-17-7-5-16(6-8-17)18-10-20-13-23-18/h2-10,13H,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 87008284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).