N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide

C17H15ClN2O2S — CID 7963506

IUPACN-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C17H15ClN2O2S/c1-20(10-12-5-3-2-4-6-12)16(21)11-23-17-19-14-8-7-13(18)9-15(14)22-17/h2-9H,10-11H2,1H3
InChIKeyOVXLIJYSGGDEAG-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.23
Rot. Bonds5

About N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide

N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide (PubChem CID 7963506) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide
PubChem CID7963506
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C17H15ClN2O2S/c1-20(10-12-5-3-2-4-6-12)16(21)11-23-17-19-14-8-7-13(18)9-15(14)22-17/h2-9H,10-11H2,1H3
InChIKeyOVXLIJYSGGDEAG-UHFFFAOYSA-N
XLogP4.23
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 7963499
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 95306501
N-[(2-bromophenyl)methyl]-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide
CID 55318304
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7963590
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55312472
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 95306094
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
CID 52888357
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
CID 7963523
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 30108309
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 110886515
N-benzyl-2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-methylacetamide
CID 46357705
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 7963534

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide (CID 7963506) is N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2o1.
What is the InChIKey of N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide?
The InChIKey is OVXLIJYSGGDEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-20(10-12-5-3-2-4-6-12)16(21)11-23-17-19-14-8-7-13(18)9-15(14)22-17/h2-9H,10-11H2,1H3.
What are the key properties of N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide?
N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide has a molecular weight of 346.84 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 7963506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).