2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide

C18H20BrClN2O3S2 — CID 4549177

IUPAC2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrClN2O3S2/c1-3-22(4-2)27(24,25)15-9-10-16(20)17(11-15)21-18(23)12-26-14-7-5-13(19)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyDWEAWSGFDXEGPR-UHFFFAOYSA-N
MW491.86 g/mol
LogP4.86
Rot. Bonds8

About 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 4549177) has the molecular formula C18H20BrClN2O3S2 and a molecular weight of 491.86 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
PubChem CID4549177
Molecular FormulaC18H20BrClN2O3S2
Molecular Weight491.86 g/mol
Exact Mass489.98
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrClN2O3S2/c1-3-22(4-2)27(24,25)15-9-10-16(20)17(11-15)21-18(23)12-26-14-7-5-13(19)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyDWEAWSGFDXEGPR-UHFFFAOYSA-N
XLogP4.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4315777
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 29479540
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753
5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55343089
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4-dichlorophenyl)acetamide
CID 3950421
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3471694
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 55771526
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
N-(2-chloro-4-methylphenyl)-2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2340845
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55343278

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide (CID 4549177) is 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is DWEAWSGFDXEGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3S2/c1-3-22(4-2)27(24,25)15-9-10-16(20)17(11-15)21-18(23)12-26-14-7-5-13(19)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 491.86 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4549177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).