2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide

C12H17BrN2O4S — CID 47256526

IUPAC2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H17BrN2O4S/c1-4-14-12(16)8-15(2)20(17,18)9-5-6-11(19-3)10(13)7-9/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyYNWMLBMCVDWRAN-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.21
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide

2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 47256526) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID47256526
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H17BrN2O4S/c1-4-14-12(16)8-15(2)20(17,18)9-5-6-11(19-3)10(13)7-9/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyYNWMLBMCVDWRAN-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 27260887
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
5-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 60952208
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
3-bromo-4-methoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060027
2-chloro-4-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 107089967

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide (CID 47256526) is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is YNWMLBMCVDWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-4-14-12(16)8-15(2)20(17,18)9-5-6-11(19-3)10(13)7-9/h5-7H,4,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 365.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 47256526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).