N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C22H20Br2N2O3S — CID 124544246

IUPACN-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C22H20Br2N2O3S/c23-18-10-12-19(13-11-18)30(28,29)26(15-14-17-6-2-1-3-7-17)16-22(27)25-21-9-5-4-8-20(21)24/h1-13H,14-16H2,(H,25,27)
InChIKeyAQALDPUWONLUOF-UHFFFAOYSA-N
MW552.29 g/mol
LogP5.08
Rot. Bonds8

About N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 124544246) has the molecular formula C22H20Br2N2O3S and a molecular weight of 552.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID124544246
Molecular FormulaC22H20Br2N2O3S
Molecular Weight552.29 g/mol
Exact Mass549.96
IUPAC NameN-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C22H20Br2N2O3S/c23-18-10-12-19(13-11-18)30(28,29)26(15-14-17-6-2-1-3-7-17)16-22(27)25-21-9-5-4-8-20(21)24/h1-13H,14-16H2,(H,25,27)
InChIKeyAQALDPUWONLUOF-UHFFFAOYSA-N
XLogP5.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]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

N-(2-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360434
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 43871730
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 1092328
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-ethylphenyl)acetamide
CID 1338968
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-methoxyethyl)acetamide
CID 3138915
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967163
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 124544246) is N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is AQALDPUWONLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2N2O3S/c23-18-10-12-19(13-11-18)30(28,29)26(15-14-17-6-2-1-3-7-17)16-22(27)25-21-9-5-4-8-20(21)24/h1-13H,14-16H2,(H,25,27).
What are the key properties of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 552.29 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 124544246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).