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

C15H11ClN2O2S — CID 708751

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O2S/c16-10-5-1-2-6-11(10)17-14(19)9-21-15-18-12-7-3-4-8-13(12)20-15/h1-8H,9H2,(H,17,19)
InChIKeyNZZHRBQXFHVPBE-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.21
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide (PubChem CID 708751) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
PubChem CID708751
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O2S/c16-10-5-1-2-6-11(10)17-14(19)9-21-15-18-12-7-3-4-8-13(12)20-15/h1-8H,9H2,(H,17,19)
InChIKeyNZZHRBQXFHVPBE-UHFFFAOYSA-N
XLogP4.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
CID 7963523
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9438955
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 596702
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3906746
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 1219106
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 5394849
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1417656
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 975863
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 4257227
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
CID 9006473
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[2-[4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetamide
CID 17324972

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide (CID 708751) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1ccccc1Cl.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide?
The InChIKey is NZZHRBQXFHVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-10-5-1-2-6-11(10)17-14(19)9-21-15-18-12-7-3-4-8-13(12)20-15/h1-8H,9H2,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 4.21, 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-(2-chlorophenyl)acetamide is sourced from PubChem (CID 708751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).