2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C22H18BrF3N2O3S — CID 43871730

IUPAC2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H18BrF3N2O3S/c23-16-6-8-17(9-7-16)32(30,31)28(13-12-15-4-2-1-3-5-15)14-20(29)27-19-11-10-18(24)21(25)22(19)26/h1-11H,12-14H2,(H,27,29)
InChIKeyFFYBHZPPBIWBCQ-UHFFFAOYSA-N
MW527.36 g/mol
LogP4.74
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 43871730) has the molecular formula C22H18BrF3N2O3S and a molecular weight of 527.36 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID43871730
Molecular FormulaC22H18BrF3N2O3S
Molecular Weight527.36 g/mol
Exact Mass526.02
IUPAC Name2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H18BrF3N2O3S/c23-16-6-8-17(9-7-16)32(30,31)28(13-12-15-4-2-1-3-5-15)14-20(29)27-19-11-10-18(24)21(25)22(19)26/h1-11H,12-14H2,(H,27,29)
InChIKeyFFYBHZPPBIWBCQ-UHFFFAOYSA-N
XLogP4.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 124544246
2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 39793374
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 1092328
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 28543265
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-ethylphenyl)acetamide
CID 1338968
N-(3-chloro-4-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1331412
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
N-(2-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360434
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-methoxyethyl)acetamide
CID 3138915
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544802

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 43871730) is 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FFYBHZPPBIWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrF3N2O3S/c23-16-6-8-17(9-7-16)32(30,31)28(13-12-15-4-2-1-3-5-15)14-20(29)27-19-11-10-18(24)21(25)22(19)26/h1-11H,12-14H2,(H,27,29).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 527.36 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 43871730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).