2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide

C13H19BrN2O3S — CID 47409304

IUPAC2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-4-10(2)15-13(17)9-16(20(3,18)19)12-8-6-5-7-11(12)14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeySYIXPNAIKBNPRA-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.13
Rot. Bonds6

About 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide

2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide (PubChem CID 47409304) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
PubChem CID47409304
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-4-10(2)15-13(17)9-16(20(3,18)19)12-8-6-5-7-11(12)14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeySYIXPNAIKBNPRA-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317350
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
2-(2-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 28633697
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 7438945
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
(2R)-2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100553379
N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157561
2-(2-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 2209148
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide (CID 47409304) is 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide?
The InChIKey is SYIXPNAIKBNPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-4-10(2)15-13(17)9-16(20(3,18)19)12-8-6-5-7-11(12)14/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide?
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide has a molecular weight of 363.28 g/mol, XLogP of 2.13, 6 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-butan-2-ylacetamide is sourced from PubChem (CID 47409304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).