2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C20H23BrN2O2S — CID 24681883

IUPAC2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)c(C)cc1Br
InChIInChI=1S/C20H23BrN2O2S/c1-12-6-5-7-17(15(12)4)23-19(24)10-22-20(25)11-26-18-9-13(2)16(21)8-14(18)3/h5-9H,10-11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyASONCDRFGYDGGC-UHFFFAOYSA-N
MW435.39 g/mol
LogP4.53
Rot. Bonds6

About 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 24681883) has the molecular formula C20H23BrN2O2S and a molecular weight of 435.39 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID24681883
Molecular FormulaC20H23BrN2O2S
Molecular Weight435.39 g/mol
Exact Mass434.07
IUPAC Name2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)c(C)cc1Br
InChIInChI=1S/C20H23BrN2O2S/c1-12-6-5-7-17(15(12)4)23-19(24)10-22-20(25)11-26-18-9-13(2)16(21)8-14(18)3/h5-9H,10-11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyASONCDRFGYDGGC-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 27743350
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7228913
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 26499660
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701663
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 51162015
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
CID 154775237
2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 8705745
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 55766060
N-(2,3-dimethylphenyl)-2-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]acetamide
CID 7940410

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 24681883) is 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)c(C)cc1Br.
What is the InChIKey of 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is ASONCDRFGYDGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2S/c1-12-6-5-7-17(15(12)4)23-19(24)10-22-20(25)11-26-18-9-13(2)16(21)8-14(18)3/h5-9H,10-11H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 435.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 24681883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).