2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide

C16H17BrN2O4S — CID 50893049

IUPAC2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-2-23-14-7-5-13(6-8-14)19(11-16(18)20)24(21,22)15-9-3-12(17)4-10-15/h3-10H,2,11H2,1H3,(H2,18,20)
InChIKeyODCCBOTVFYUQKW-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.53
Rot. Bonds7

About 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide

2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide (PubChem CID 50893049) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
PubChem CID50893049
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-2-23-14-7-5-13(6-8-14)19(11-16(18)20)24(21,22)15-9-3-12(17)4-10-15/h3-10H,2,11H2,1H3,(H2,18,20)
InChIKeyODCCBOTVFYUQKW-UHFFFAOYSA-N
XLogP2.53
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564056
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
2-(4-ethoxy-N-ethylsulfonylanilino)acetamide
CID 50893065
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 50893491
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide
CID 50893011
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1129944
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897196
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 5195720
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide (CID 50893049) is 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide is CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The InChIKey is ODCCBOTVFYUQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-2-23-14-7-5-13(6-8-14)19(11-16(18)20)24(21,22)15-9-3-12(17)4-10-15/h3-10H,2,11H2,1H3,(H2,18,20).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide has a molecular weight of 413.29 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide is sourced from PubChem (CID 50893049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).