N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide

C18H20Br2N2O3S — CID 28547717

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20Br2N2O3S/c1-3-22(26(24,25)17-10-8-16(20)9-11-17)12-18(23)21-13(2)14-4-6-15(19)7-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyUBMSCHHEFUKCRA-ZDUSSCGKSA-N
MW504.24 g/mol
LogP4.10
Rot. Bonds7

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 28547717) has the molecular formula C18H20Br2N2O3S and a molecular weight of 504.24 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
PubChem CID28547717
Molecular FormulaC18H20Br2N2O3S
Molecular Weight504.24 g/mol
Exact Mass501.96
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20Br2N2O3S/c1-3-22(26(24,25)17-10-8-16(20)9-11-17)12-18(23)21-13(2)14-4-6-15(19)7-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyUBMSCHHEFUKCRA-ZDUSSCGKSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28547067
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044817
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 112765400

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide (CID 28547717) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is UBMSCHHEFUKCRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20Br2N2O3S/c1-3-22(26(24,25)17-10-8-16(20)9-11-17)12-18(23)21-13(2)14-4-6-15(19)7-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 504.24 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 28547717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).