2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

C16H13ClN2O3S — CID 708745

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C16H13ClN2O3S/c1-21-13-7-6-10(17)8-12(13)18-15(20)9-23-16-19-11-4-2-3-5-14(11)22-16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyXFUFXCJKHVYTNM-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.22
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 708745) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID708745
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C16H13ClN2O3S/c1-21-13-7-6-10(17)8-12(13)18-15(20)9-23-16-19-11-4-2-3-5-14(11)22-16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyXFUFXCJKHVYTNM-UHFFFAOYSA-N
XLogP4.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 708745) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is XFUFXCJKHVYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-21-13-7-6-10(17)8-12(13)18-15(20)9-23-16-19-11-4-2-3-5-14(11)22-16/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 348.81 g/mol, XLogP of 4.22, 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-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 708745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).