N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide

C18H19BrN2O2S — CID 26499660

IUPACN-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C18H19BrN2O2S/c1-11-9-17(12(2)8-16(11)19)24-10-18(23)21-15-6-4-14(5-7-15)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQVGBXUGFOHXTLZ-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.76
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 26499660) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
PubChem CID26499660
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC NameN-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C18H19BrN2O2S/c1-11-9-17(12(2)8-16(11)19)24-10-18(23)21-15-6-4-14(5-7-15)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQVGBXUGFOHXTLZ-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 4789586
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 18273296
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
CID 154775237
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 47388358
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate
CID 46673767
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 43418672
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 43357537
(2S)-2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61153514
N-[(2S)-1-aminopropan-2-yl]-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 120506834
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 27743350
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 60544577
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide (CID 26499660) is N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is QVGBXUGFOHXTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-11-9-17(12(2)8-16(11)19)24-10-18(23)21-15-6-4-14(5-7-15)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 407.33 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 26499660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).