N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide

C20H23BrN2O2S — CID 18111165

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
SMILESCc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O2S/c1-14-4-6-16(7-5-14)12-26-13-20(25)23(3)11-19(24)22-18-9-8-17(21)10-15(18)2/h4-10H,11-13H2,1-3H3,(H,22,24)
InChIKeyLRXHFQBYCIJETJ-UHFFFAOYSA-N
MW435.39 g/mol
LogP4.40
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide (PubChem CID 18111165) has the molecular formula C20H23BrN2O2S and a molecular weight of 435.39 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
PubChem CID18111165
Molecular FormulaC20H23BrN2O2S
Molecular Weight435.39 g/mol
Exact Mass434.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
SMILESCc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O2S/c1-14-4-6-16(7-5-14)12-26-13-20(25)23(3)11-19(24)22-18-9-8-17(21)10-15(18)2/h4-10H,11-13H2,1-3H3,(H,22,24)
InChIKeyLRXHFQBYCIJETJ-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(4-bromobenzyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
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CID 2699473
N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2699491
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N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 6737619
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide (CID 18111165) is N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide is Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The InChIKey is LRXHFQBYCIJETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2S/c1-14-4-6-16(7-5-14)12-26-13-20(25)23(3)11-19(24)22-18-9-8-17(21)10-15(18)2/h4-10H,11-13H2,1-3H3,(H,22,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide has a molecular weight of 435.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 18111165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).