N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide

C23H21BrClFN2O3S — CID 43871955

IUPACN-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESCC(NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C23H21BrClFN2O3S/c1-16(17-6-4-7-19(24)13-17)27-23(29)15-28(14-18-5-2-3-8-22(18)26)32(30,31)21-11-9-20(25)10-12-21/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyMXHPODUOIOQZAN-UHFFFAOYSA-N
MW539.85 g/mol
LogP5.31
Rot. Bonds8

About N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 43871955) has the molecular formula C23H21BrClFN2O3S and a molecular weight of 539.85 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID43871955
Molecular FormulaC23H21BrClFN2O3S
Molecular Weight539.85 g/mol
Exact Mass538.01
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESCC(NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C23H21BrClFN2O3S/c1-16(17-6-4-7-19(24)13-17)27-23(29)15-28(14-18-5-2-3-8-22(18)26)32(30,31)21-11-9-20(25)10-12-21/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyMXHPODUOIOQZAN-UHFFFAOYSA-N
XLogP5.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.85
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 94861239
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 28543712
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28543715
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 99865843
N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43871665
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide
CID 94861224
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2191998
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871953
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545049
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43871639
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401134

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 43871955) is N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide is CC(NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is MXHPODUOIOQZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClFN2O3S/c1-16(17-6-4-7-19(24)13-17)27-23(29)15-28(14-18-5-2-3-8-22(18)26)32(30,31)21-11-9-20(25)10-12-21/h2-13,16H,14-15H2,1H3,(H,27,29).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide?
N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 539.85 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 43871955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).