N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide

C19H21BrN2O3S — CID 4789586

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1cc(C)c(Br)cc1C
InChIInChI=1S/C19H21BrN2O3S/c1-11-8-18(12(2)7-15(11)20)26-10-19(24)22-16-9-14(21-13(3)23)5-6-17(16)25-4/h5-9H,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyGTKJJLHCHIWRRC-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.76
Rot. Bonds6

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

N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 4789586) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
PubChem CID4789586
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1cc(C)c(Br)cc1C
InChIInChI=1S/C19H21BrN2O3S/c1-11-8-18(12(2)7-15(11)20)26-10-19(24)22-16-9-14(21-13(3)23)5-6-17(16)25-4/h5-9H,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyGTKJJLHCHIWRRC-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 26499660
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2344852
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 24614942
N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide
CID 16609082

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide (CID 4789586) is N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide is COc1ccc(NC(C)=O)cc1NC(=O)CSc1cc(C)c(Br)cc1C.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is GTKJJLHCHIWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-11-8-18(12(2)7-15(11)20)26-10-19(24)22-16-9-14(21-13(3)23)5-6-17(16)25-4/h5-9H,10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 437.36 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 4789586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).