N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

C18H19BrCl2N2O3S — CID 28547799

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19BrCl2N2O3S/c1-3-23(27(25,26)17-10-15(20)7-8-16(17)21)11-18(24)22-12(2)13-5-4-6-14(19)9-13/h4-10,12H,3,11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyIPDRCTFOTWNLCL-GFCCVEGCSA-N
MW494.24 g/mol
LogP4.64
Rot. Bonds7

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 28547799) has the molecular formula C18H19BrCl2N2O3S and a molecular weight of 494.24 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID28547799
Molecular FormulaC18H19BrCl2N2O3S
Molecular Weight494.24 g/mol
Exact Mass491.97
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19BrCl2N2O3S/c1-3-23(27(25,26)17-10-15(20)7-8-16(17)21)11-18(24)22-12(2)13-5-4-6-14(19)9-13/h4-10,12H,3,11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyIPDRCTFOTWNLCL-GFCCVEGCSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547797
N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371979
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetamide
CID 92645757
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861366
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 99865843
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 28546941
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28543715
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 28543712
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 94861461
N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43871665

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (CID 28547799) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)N[C@H](C)c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is IPDRCTFOTWNLCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19BrCl2N2O3S/c1-3-23(27(25,26)17-10-15(20)7-8-16(17)21)11-18(24)22-12(2)13-5-4-6-14(19)9-13/h4-10,12H,3,11H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 494.24 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 28547799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).