N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide

C13H12BrNOS — CID 81003623

IUPACN-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H12BrNOS/c1-17-8-13(16)15-12-5-3-9-6-11(14)4-2-10(9)7-12/h2-7H,8H2,1H3,(H,15,16)
InChIKeyVFQGHSRFELDYNS-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.90
Rot. Bonds3

About N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide

N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide (PubChem CID 81003623) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
PubChem CID81003623
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H12BrNOS/c1-17-8-13(16)15-12-5-3-9-6-11(14)4-2-10(9)7-12/h2-7H,8H2,1H3,(H,15,16)
InChIKeyVFQGHSRFELDYNS-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
CID 81259945
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
CID 112617488
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-(3-bromo-4-nitrophenyl)-2-methylsulfanylacetamide
CID 75446808
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide (CID 81003623) is N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide?
The InChIKey is VFQGHSRFELDYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-17-8-13(16)15-12-5-3-9-6-11(14)4-2-10(9)7-12/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide?
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide has a molecular weight of 310.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 81003623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).