2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide

C24H21Br2ClN2O2S2 — CID 4844789

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(NC(=O)CSc2ccc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C24H21Br2ClN2O2S2/c1-14-9-16(25)3-7-21(14)32-12-23(30)28-18-5-6-20(19(27)11-18)29-24(31)13-33-22-8-4-17(26)10-15(22)2/h3-11H,12-13H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyISYMTJQYWNXNDT-UHFFFAOYSA-N
MW628.84 g/mol
LogP7.94
Rot. Bonds8

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide (PubChem CID 4844789) has the molecular formula C24H21Br2ClN2O2S2 and a molecular weight of 628.84 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
PubChem CID4844789
Molecular FormulaC24H21Br2ClN2O2S2
Molecular Weight628.84 g/mol
Exact Mass625.91
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(NC(=O)CSc2ccc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C24H21Br2ClN2O2S2/c1-14-9-16(25)3-7-21(14)32-12-23(30)28-18-5-6-20(19(27)11-18)29-24(31)13-33-22-8-4-17(26)10-15(22)2/h3-11H,12-13H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyISYMTJQYWNXNDT-UHFFFAOYSA-N
XLogP7.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.84
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide with MolForge

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Related Compounds

2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
2-(5-bromo-2-methylphenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 1180161
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 34206787
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
methyl 2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]phenoxy]acetate
CID 55709184
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 5091800

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide (CID 4844789) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide is Cc1cc(Br)ccc1SCC(=O)Nc1ccc(NC(=O)CSc2ccc(Br)cc2C)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide?
The InChIKey is ISYMTJQYWNXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Br2ClN2O2S2/c1-14-9-16(25)3-7-21(14)32-12-23(30)28-18-5-6-20(19(27)11-18)29-24(31)13-33-22-8-4-17(26)10-15(22)2/h3-11H,12-13H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide has a molecular weight of 628.84 g/mol, XLogP of 7.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide is sourced from PubChem (CID 4844789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).