2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C17H15ClN2O3S — CID 2620923

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C17H15ClN2O3S/c1-10-7-13(15(22-2)8-11(10)18)19-16(21)9-24-17-20-12-5-3-4-6-14(12)23-17/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyXRLOPRHBKXNCOW-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.53
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 2620923) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID2620923
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C17H15ClN2O3S/c1-10-7-13(15(22-2)8-11(10)18)19-16(21)9-24-17-20-12-5-3-4-6-14(12)23-17/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyXRLOPRHBKXNCOW-UHFFFAOYSA-N
XLogP4.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.53
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-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 2620923) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is XRLOPRHBKXNCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10-7-13(15(22-2)8-11(10)18)19-16(21)9-24-17-20-12-5-3-4-6-14(12)23-17/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 362.84 g/mol, XLogP of 4.53, 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-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2620923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).