2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide

C25H25BrClN3O4S2 — CID 3483793

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C25H25BrClN3O4S2/c1-17-14-18(26)2-9-24(17)35-16-25(31)28-22-15-21(7-8-23(22)30-10-12-34-13-11-30)36(32,33)29-20-5-3-19(27)4-6-20/h2-9,14-15,29H,10-13,16H2,1H3,(H,28,31)
InChIKeyCVOIPJGRJDGSIK-UHFFFAOYSA-N
MW610.98 g/mol
LogP5.78
Rot. Bonds8

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide (PubChem CID 3483793) has the molecular formula C25H25BrClN3O4S2 and a molecular weight of 610.98 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide
PubChem CID3483793
Molecular FormulaC25H25BrClN3O4S2
Molecular Weight610.98 g/mol
Exact Mass609.02
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C25H25BrClN3O4S2/c1-17-14-18(26)2-9-24(17)35-16-25(31)28-22-15-21(7-8-23(22)30-10-12-34-13-11-30)36(32,33)29-20-5-3-19(27)4-6-20/h2-9,14-15,29H,10-13,16H2,1H3,(H,28,31)
InChIKeyCVOIPJGRJDGSIK-UHFFFAOYSA-N
XLogP5.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.98
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide with MolForge

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Related Compounds

N-[[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]carbamothioyl]-4-methylbenzamide
CID 4246175
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 26439639
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 27195451
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate
CID 5113515
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
CID 55770674
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide (CID 3483793) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide is Cc1cc(Br)ccc1SCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide?
The InChIKey is CVOIPJGRJDGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrClN3O4S2/c1-17-14-18(26)2-9-24(17)35-16-25(31)28-22-15-21(7-8-23(22)30-10-12-34-13-11-30)36(32,33)29-20-5-3-19(27)4-6-20/h2-9,14-15,29H,10-13,16H2,1H3,(H,28,31).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide has a molecular weight of 610.98 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide is sourced from PubChem (CID 3483793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).