[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone

C15H16BrNOS — CID 84611700

IUPAC[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
SMILESCC(C)(CN)c1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H16BrNOS/c1-15(2,9-17)11-5-3-10(4-6-11)14(18)12-7-8-13(16)19-12/h3-8H,9,17H2,1-2H3
InChIKeyCCLYUKJITJJFFS-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.98
Rot. Bonds4

About [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone

[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone (PubChem CID 84611700) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
PubChem CID84611700
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
SMILESCC(C)(CN)c1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H16BrNOS/c1-15(2,9-17)11-5-3-10(4-6-11)14(18)12-7-8-13(16)19-12/h3-8H,9,17H2,1-2H3
InChIKeyCCLYUKJITJJFFS-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone (CID 84611700) is [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone is CC(C)(CN)c1ccc(C(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
The InChIKey is CCLYUKJITJJFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-15(2,9-17)11-5-3-10(4-6-11)14(18)12-7-8-13(16)19-12/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone has a molecular weight of 338.27 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone is sourced from PubChem (CID 84611700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).