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

C21H19BrN2O3S2 — CID 1280042

IUPAC2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O3S2/c22-20-9-5-4-6-16(20)14-28-15-21(25)23-17-10-12-19(13-11-17)29(26,27)24-18-7-2-1-3-8-18/h1-13,24H,14-15H2,(H,23,25)
InChIKeyBZARYCCUGNOAAY-UHFFFAOYSA-N
MW491.43 g/mol
LogP5.12
Rot. Bonds8

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

2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide (PubChem CID 1280042) has the molecular formula C21H19BrN2O3S2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
PubChem CID1280042
Molecular FormulaC21H19BrN2O3S2
Molecular Weight491.43 g/mol
Exact Mass490.00
IUPAC Name2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O3S2/c22-20-9-5-4-6-16(20)14-28-15-21(25)23-17-10-12-19(13-11-17)29(26,27)24-18-7-2-1-3-8-18/h1-13,24H,14-15H2,(H,23,25)
InChIKeyBZARYCCUGNOAAY-UHFFFAOYSA-N
XLogP5.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 3931148
2-(2-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 18159807
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 1278407
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
CID 25429308
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 17444380
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
2-benzylsulfanyl-N-phenylacetamide
CID 584914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide (CID 1280042) is 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide is O=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The InChIKey is BZARYCCUGNOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S2/c22-20-9-5-4-6-16(20)14-28-15-21(25)23-17-10-12-19(13-11-17)29(26,27)24-18-7-2-1-3-8-18/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide has a molecular weight of 491.43 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1280042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).