2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

C17H27BrN2O3S — CID 133185222

IUPAC2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C17H27BrN2O3S/c1-4-6-9-14(5-2)12-19-17(21)13-20(24(3,22)23)16-11-8-7-10-15(16)18/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,19,21)
InChIKeyDDKUBLWORWYLDL-UHFFFAOYSA-N
MW419.39 g/mol
LogP3.55
Rot. Bonds10

About 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (PubChem CID 133185222) has the molecular formula C17H27BrN2O3S and a molecular weight of 419.39 g/mol. Its IUPAC name is 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
PubChem CID133185222
Molecular FormulaC17H27BrN2O3S
Molecular Weight419.39 g/mol
Exact Mass418.09
IUPAC Name2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C17H27BrN2O3S/c1-4-6-9-14(5-2)12-19-17(21)13-20(24(3,22)23)16-11-8-7-10-15(16)18/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,19,21)
InChIKeyDDKUBLWORWYLDL-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185254
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133163859
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185163
N-(2-ethylhexyl)-4-(N-methylsulfonyl-2-propan-2-ylanilino)butanamide
CID 133200489
N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 43895399
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
CID 94844127
4-(4-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133218550
N-(2-ethylhexyl)-4-(N-methylsulfonyl-2-phenylsulfanylanilino)butanamide
CID 133202011
N-(2-ethylhexyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133185425
2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
CID 133185431

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (CID 133185222) is 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The InChIKey is DDKUBLWORWYLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O3S/c1-4-6-9-14(5-2)12-19-17(21)13-20(24(3,22)23)16-11-8-7-10-15(16)18/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide has a molecular weight of 419.39 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 133185222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).