2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide

C12H17BrN2O3S — CID 81194602

IUPAC2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide
SMILESCCC(N)CS(=O)(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-2-9(14)7-19(17,18)8-12(16)15-11-6-4-3-5-10(11)13/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyGGMTZIYKHXEAIZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.54
Rot. Bonds6

About 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide

2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide (PubChem CID 81194602) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide
PubChem CID81194602
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide
SMILESCCC(N)CS(=O)(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-2-9(14)7-19(17,18)8-12(16)15-11-6-4-3-5-10(11)13/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyGGMTZIYKHXEAIZ-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromophenyl)butanamide
CID 43649425
2-[2-(2-bromoanilino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid
CID 105354739
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide
CID 81194128
N-(2-bromophenyl)butanamide
CID 732405
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
CID 2414095
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide (CID 81194602) is 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide is CCC(N)CS(=O)(=O)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide?
The InChIKey is GGMTZIYKHXEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-2-9(14)7-19(17,18)8-12(16)15-11-6-4-3-5-10(11)13/h3-6,9H,2,7-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide?
2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide has a molecular weight of 349.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 81194602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).