2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide

C16H14N2O2S2 — CID 708756

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C16H14N2O2S2/c1-21-12-6-4-5-11(9-12)17-15(19)10-22-16-18-13-7-2-3-8-14(13)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeySQPDSOQYMBZBFN-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.28
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 708756) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID708756
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C16H14N2O2S2/c1-21-12-6-4-5-11(9-12)17-15(19)10-22-16-18-13-7-2-3-8-14(13)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeySQPDSOQYMBZBFN-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fba 185
CID 17867
1-(Benzoxazol-2-ylthio)-propan-2-one
CID 539510
2-(Methylthio)benzoxazole
CID 4178773
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethylsulfanyl-6-methyl-1H-pyridin-2-one
CID 454433
(1R,2R)-2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 9967252
2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 22272776
1-(4-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-diethylazetidine-2,4-dione
CID 44626999
2-(1,3-Benzoxazol-2-ylsulfanyl)acetonitrile
CID 2819294
2-((2-(1,3-Benzothiazol-2-ylsulfonyl)ethyl)thio)-1,3-benzoxazole
CID 1319216
2-(2-Benzoxazol-2-ylthioethoxy)-1-fluorobenzene
CID 2256886
3-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylpropanamide
CID 714637

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide (CID 708756) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is SQPDSOQYMBZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-21-12-6-4-5-11(9-12)17-15(19)10-22-16-18-13-7-2-3-8-14(13)20-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 708756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).