2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide

C11H17BrN2O4S — CID 54873405

IUPAC2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H17BrN2O4S/c1-14(7-8-3-4-10(12)18-8)11(15)9(13)5-6-19(2,16)17/h3-4,9H,5-7,13H2,1-2H3
InChIKeyKIZJLEJBCQJESM-UHFFFAOYSA-N
MW353.24 g/mol
LogP0.76
Rot. Bonds6

About 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide

2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide (PubChem CID 54873405) has the molecular formula C11H17BrN2O4S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
PubChem CID54873405
Molecular FormulaC11H17BrN2O4S
Molecular Weight353.24 g/mol
Exact Mass352.01
IUPAC Name2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H17BrN2O4S/c1-14(7-8-3-4-10(12)18-8)11(15)9(13)5-6-19(2,16)17/h3-4,9H,5-7,13H2,1-2H3
InChIKeyKIZJLEJBCQJESM-UHFFFAOYSA-N
XLogP0.76
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61165317
2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide
CID 65227055
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonylbutanamide
CID 60937787
3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62877834
(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
CID 124596970
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide (CID 54873405) is 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide is CN(Cc1ccc(Br)o1)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is KIZJLEJBCQJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O4S/c1-14(7-8-3-4-10(12)18-8)11(15)9(13)5-6-19(2,16)17/h3-4,9H,5-7,13H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 353.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 54873405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).