2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide

C19H23BrN2O3S2 — CID 2969943

IUPAC2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN2O3S2/c1-3-22(4-2)27(24,25)18-11-9-17(10-12-18)21-19(23)14-26-13-15-5-7-16(20)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyLPCBIDBPMLJMEX-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.35
Rot. Bonds9

About 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 2969943) has the molecular formula C19H23BrN2O3S2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID2969943
Molecular FormulaC19H23BrN2O3S2
Molecular Weight471.44 g/mol
Exact Mass470.03
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN2O3S2/c1-3-22(4-2)27(24,25)18-11-9-17(10-12-18)21-19(23)14-26-13-15-5-7-16(20)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyLPCBIDBPMLJMEX-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 4091251
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
CID 55464247
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3251537
methyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2242857
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
2-[(4-bromophenyl)methylsulfanyl]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126414292
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2434657

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 2969943) is 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is LPCBIDBPMLJMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S2/c1-3-22(4-2)27(24,25)18-11-9-17(10-12-18)21-19(23)14-26-13-15-5-7-16(20)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 471.44 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2969943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).