N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C17H19BrN2O4S — CID 1098136

IUPACN-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C17H19BrN2O4S/c1-3-24-16-10-5-4-9-15(16)20(25(2,22)23)12-17(21)19-14-8-6-7-13(18)11-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMQFBMHNKWTXHFU-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.25
Rot. Bonds7

About N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1098136) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1098136
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C17H19BrN2O4S/c1-3-24-16-10-5-4-9-15(16)20(25(2,22)23)12-17(21)19-14-8-6-7-13(18)11-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMQFBMHNKWTXHFU-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126258649
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
methyl 2-chloro-5-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126317794
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2290689
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689
4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 1098136) is N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is MQFBMHNKWTXHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-3-24-16-10-5-4-9-15(16)20(25(2,22)23)12-17(21)19-14-8-6-7-13(18)11-14/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 427.32 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1098136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).