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

C20H25BrN2O4S — CID 43872386

IUPACN-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-4-23(28(25,26)19-12-10-18(11-13-19)27-5-2)14-20(24)22-15(3)16-6-8-17(21)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyOGVQZPAKVFVKBR-UHFFFAOYSA-N
MW469.40 g/mol
LogP3.74
Rot. Bonds9

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

N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 43872386) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
PubChem CID43872386
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-4-23(28(25,26)19-12-10-18(11-13-19)27-5-2)14-20(24)22-15(3)16-6-8-17(21)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyOGVQZPAKVFVKBR-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 28546941
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304216
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401395
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
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 112765400
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 45373181
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872651
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (CID 43872386) is N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is OGVQZPAKVFVKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-4-23(28(25,26)19-12-10-18(11-13-19)27-5-2)14-20(24)22-15(3)16-6-8-17(21)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 469.40 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 43872386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).