N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide

C16H16BrNO2S — CID 8819584

IUPACN-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide
SMILESCOc1ccc(Br)cc1CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H16BrNO2S/c1-11(19)18-14-4-6-15(7-5-14)21-10-12-9-13(17)3-8-16(12)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVKKVTMQNXOVVPJ-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.71
Rot. Bonds5

About N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide

N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide (PubChem CID 8819584) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide
PubChem CID8819584
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC NameN-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide
SMILESCOc1ccc(Br)cc1CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H16BrNO2S/c1-11(19)18-14-4-6-15(7-5-14)21-10-12-9-13(17)3-8-16(12)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVKKVTMQNXOVVPJ-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79139067
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
CID 8968994
4-bromo-2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]benzoic acid
CID 115382068
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]aniline
CID 79133877
2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 4789994
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
methyl 3-[(4-acetamidophenyl)sulfanylmethyl]thiophene-2-carboxylate
CID 122157340
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]propanoic acid
CID 60666746
N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide
CID 43377174
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide (CID 8819584) is N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide is COc1ccc(Br)cc1CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide?
The InChIKey is VKKVTMQNXOVVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-11(19)18-14-4-6-15(7-5-14)21-10-12-9-13(17)3-8-16(12)20-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide?
N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide has a molecular weight of 366.28 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 8819584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).