2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H12BrClN2O2S — CID 2351887

IUPAC2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(Br)c3cccc(Cl)c23)no1
InChIInChI=1S/C16H12BrClN2O2S/c1-9-7-14(20-22-9)19-15(21)8-23-13-6-5-11(17)10-3-2-4-12(18)16(10)13/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyISFLAOZKCGSPDM-UHFFFAOYSA-N
MW411.71 g/mol
LogP5.28
Rot. Bonds4

About 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2351887) has the molecular formula C16H12BrClN2O2S and a molecular weight of 411.71 g/mol. Its IUPAC name is 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2351887
Molecular FormulaC16H12BrClN2O2S
Molecular Weight411.71 g/mol
Exact Mass409.95
IUPAC Name2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(Br)c3cccc(Cl)c23)no1
InChIInChI=1S/C16H12BrClN2O2S/c1-9-7-14(20-22-9)19-15(21)8-23-13-6-5-11(17)10-3-2-4-12(18)16(10)13/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyISFLAOZKCGSPDM-UHFFFAOYSA-N
XLogP5.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.71
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 2513008
2-(2-amino-4-methylphenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43302530
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16532634
2-(2-amino-4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43304169
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430
2-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16504144
3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43304529
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442803
4-chloro-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3575228
2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912582
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2351887) is 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2ccc(Br)c3cccc(Cl)c23)no1.
What is the InChIKey of 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is ISFLAOZKCGSPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O2S/c1-9-7-14(20-22-9)19-15(21)8-23-13-6-5-11(17)10-3-2-4-12(18)16(10)13/h2-7H,8H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 411.71 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2351887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).