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

C16H17BrN2O4S — CID 50893491

IUPAC2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-2-23-15-6-4-3-5-14(15)19(11-16(18)20)24(21,22)13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3,(H2,18,20)
InChIKeyXXLXNBLMFHAOCV-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.53
Rot. Bonds7

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

2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide (PubChem CID 50893491) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
PubChem CID50893491
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-2-23-15-6-4-3-5-14(15)19(11-16(18)20)24(21,22)13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3,(H2,18,20)
InChIKeyXXLXNBLMFHAOCV-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-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 50895197
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50893439
propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50893485
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132645943
(2R)-2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125093859

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide (CID 50893491) is 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide is CCOc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide?
The InChIKey is XXLXNBLMFHAOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-2-23-15-6-4-3-5-14(15)19(11-16(18)20)24(21,22)13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3,(H2,18,20).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide?
2-(N-(4-bromophenyl)sulfonyl-2-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-2-ethoxyanilino)acetamide is sourced from PubChem (CID 50893491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).