2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide

C25H27BrN2O4S — CID 43872651

IUPAC2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cccc(Br)c2)Cc2ccccc2)cc1
InChIInChI=1S/C25H27BrN2O4S/c1-3-32-23-12-14-24(15-13-23)33(30,31)28(17-20-8-5-4-6-9-20)18-25(29)27-19(2)21-10-7-11-22(26)16-21/h4-16,19H,3,17-18H2,1-2H3,(H,27,29)
InChIKeyTZDJZKCYSLEIMR-UHFFFAOYSA-N
MW531.47 g/mol
LogP4.92
Rot. Bonds10

About 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide (PubChem CID 43872651) has the molecular formula C25H27BrN2O4S and a molecular weight of 531.47 g/mol. Its IUPAC name is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
PubChem CID43872651
Molecular FormulaC25H27BrN2O4S
Molecular Weight531.47 g/mol
Exact Mass530.09
IUPAC Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cccc(Br)c2)Cc2ccccc2)cc1
InChIInChI=1S/C25H27BrN2O4S/c1-3-32-23-12-14-24(15-13-23)33(30,31)28(17-20-8-5-4-6-9-20)18-25(29)27-19(2)21-10-7-11-22(26)16-21/h4-16,19H,3,17-18H2,1-2H3,(H,27,29)
InChIKeyTZDJZKCYSLEIMR-UHFFFAOYSA-N
XLogP4.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 28546941
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872604
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43871639
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-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 43871726
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861136
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-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304187
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide (CID 43872651) is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cccc(Br)c2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide?
The InChIKey is TZDJZKCYSLEIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O4S/c1-3-32-23-12-14-24(15-13-23)33(30,31)28(17-20-8-5-4-6-9-20)18-25(29)27-19(2)21-10-7-11-22(26)16-21/h4-16,19H,3,17-18H2,1-2H3,(H,27,29).
What are the key properties of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide?
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide has a molecular weight of 531.47 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 43872651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).