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

C16H14N2O2S — CID 742356

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C16H14N2O2S/c1-11-5-4-6-12(9-11)17-15(19)10-21-16-18-13-7-2-3-8-14(13)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyFKLNEVCOERDCOW-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.87
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide (PubChem CID 742356) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
PubChem CID742356
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C16H14N2O2S/c1-11-5-4-6-12(9-11)17-15(19)10-21-16-18-13-7-2-3-8-14(13)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyFKLNEVCOERDCOW-UHFFFAOYSA-N
XLogP3.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 975863
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412
3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 71296596
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 1219106
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1018895
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,5-dimethylphenyl)sulfanylacetohydrazide
CID 9471446
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(3-cyanopropoxy)phenyl]acetamide
CID 60532547
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]acetamide
CID 22592140
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7696701
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 26876968
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4005742

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide (CID 742356) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide?
The InChIKey is FKLNEVCOERDCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-5-4-6-12(9-11)17-15(19)10-21-16-18-13-7-2-3-8-14(13)20-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 742356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).