N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide

C16H16BrNO2S — CID 4163555

IUPACN-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccc2C)cc1Br
InChIInChI=1S/C16H16BrNO2S/c1-11-5-3-4-6-15(11)21-10-16(19)18-12-7-8-14(20-2)13(17)9-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyYVOQJANUJTZZBV-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.50
Rot. Bonds5

About N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide

N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 4163555) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID4163555
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccc2C)cc1Br
InChIInChI=1S/C16H16BrNO2S/c1-11-5-3-4-6-15(11)21-10-16(19)18-12-7-8-14(20-2)13(17)9-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyYVOQJANUJTZZBV-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 84884812
N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 7925479
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555394
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-bromo-4-methoxyphenyl)acetamide
CID 3588623
N-(3-bromo-4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135455797
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628688
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-(3-bromo-4-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78955856
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 42983241

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide (CID 4163555) is N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide is COc1ccc(NC(=O)CSc2ccccc2C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is YVOQJANUJTZZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-11-5-3-4-6-15(11)21-10-16(19)18-12-7-8-14(20-2)13(17)9-12/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 366.28 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 4163555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).