N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide

C17H19BrN2O4S — CID 3510493

IUPACN-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-20(12-17(21)19-14-6-4-5-13(18)11-14)25(22,23)16-9-7-15(24-2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyQURMDOSUPARLDB-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.11
Rot. Bonds7

About N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide

N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 3510493) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID3510493
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-20(12-17(21)19-14-6-4-5-13(18)11-14)25(22,23)16-9-7-15(24-2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyQURMDOSUPARLDB-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
N-(3-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360277
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 2572082
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 45371949
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799018
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide (CID 3510493) is N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide is CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is QURMDOSUPARLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-3-20(12-17(21)19-14-6-4-5-13(18)11-14)25(22,23)16-9-7-15(24-2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 427.32 g/mol, XLogP of 3.11, 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-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 3510493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).