2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C24H24BrFN2O3S — CID 100790660

IUPAC2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H24BrFN2O3S/c1-27(17-20-9-5-6-10-23(20)26)24(29)18-28(16-15-19-7-3-2-4-8-19)32(30,31)22-13-11-21(25)12-14-22/h2-14H,15-18H2,1H3
InChIKeyGORXVQVAAZJUGN-UHFFFAOYSA-N
MW519.44 g/mol
LogP4.48
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 100790660) has the molecular formula C24H24BrFN2O3S and a molecular weight of 519.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID100790660
Molecular FormulaC24H24BrFN2O3S
Molecular Weight519.44 g/mol
Exact Mass518.07
IUPAC Name2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H24BrFN2O3S/c1-27(17-20-9-5-6-10-23(20)26)24(29)18-28(16-15-19-7-3-2-4-8-19)32(30,31)22-13-11-21(25)12-14-22/h2-14H,15-18H2,1H3
InChIKeyGORXVQVAAZJUGN-UHFFFAOYSA-N
XLogP4.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100794637
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 1092328
4-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]butanoate
CID 3701532
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 43871730
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100781673
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 124544246
1-N-[(2R)-butan-2-yl]-4-N-[(2-fluorophenyl)methyl]-4-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1176330

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 100790660) is 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is GORXVQVAAZJUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrFN2O3S/c1-27(17-20-9-5-6-10-23(20)26)24(29)18-28(16-15-19-7-3-2-4-8-19)32(30,31)22-13-11-21(25)12-14-22/h2-14H,15-18H2,1H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 519.44 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 100790660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).