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

C19H20N2O2S3 — CID 86885155

IUPACN-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
SMILESCSCCc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C19H20N2O2S3/c1-24-10-8-14-4-6-15(7-5-14)20-19(22)13-25-12-16-11-17(23-21-16)18-3-2-9-26-18/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,22)
InChIKeyRPUFVKGEKHQHGD-UHFFFAOYSA-N
MW404.58 g/mol
LogP5.18
Rot. Bonds9

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

N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide (PubChem CID 86885155) has the molecular formula C19H20N2O2S3 and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
PubChem CID86885155
Molecular FormulaC19H20N2O2S3
Molecular Weight404.58 g/mol
Exact Mass404.07
IUPAC NameN-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
SMILESCSCCc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C19H20N2O2S3/c1-24-10-8-14-4-6-15(7-5-14)20-19(22)13-25-12-16-11-17(23-21-16)18-3-2-9-26-18/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,22)
InChIKeyRPUFVKGEKHQHGD-UHFFFAOYSA-N
XLogP5.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide with MolForge

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Related Compounds

N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
CID 49016833
2,2-dimethyl-N-[2-methyl-5-[[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetyl]amino]phenyl]propanamide
CID 86934488
2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide
CID 75494573
1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 49014043
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
3-(butylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 112795792
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
[4-(ethylcarbamoyl)phenyl] 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetate
CID 86960884
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 86873492
1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 86873498

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide (CID 86885155) is N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide is CSCCc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is RPUFVKGEKHQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S3/c1-24-10-8-14-4-6-15(7-5-14)20-19(22)13-25-12-16-11-17(23-21-16)18-3-2-9-26-18/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,22).
What are the key properties of N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 404.58 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 86885155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).