2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide

C13H19BrN2O3S — CID 22303972

IUPAC2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cccc(Br)c1S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-13(2,3)16-11(17)8-15-10-7-5-6-9(14)12(10)20(4,18)19/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyRPTDNQOOHJCHLA-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide

2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide (PubChem CID 22303972) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide
PubChem CID22303972
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cccc(Br)c1S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-13(2,3)16-11(17)8-15-10-7-5-6-9(14)12(10)20(4,18)19/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyRPTDNQOOHJCHLA-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22304436
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
CID 22304181
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 78954690
N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
CID 22303984
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
CID 81281028
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
CID 113445483
N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22307564

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide (CID 22303972) is 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1cccc(Br)c1S(C)(=O)=O.
What is the InChIKey of 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide?
The InChIKey is RPTDNQOOHJCHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-13(2,3)16-11(17)8-15-10-7-5-6-9(14)12(10)20(4,18)19/h5-7,15H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide?
2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide has a molecular weight of 363.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide is sourced from PubChem (CID 22303972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).