2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide

C15H16BrNO2S — CID 71910995

IUPAC2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide
SMILESCC(CC(O)c1cccs1)NC(=O)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-10(9-13(18)14-7-4-8-20-14)17-15(19)11-5-2-3-6-12(11)16/h2-8,10,13,18H,9H2,1H3,(H,17,19)
InChIKeyTYLVWIHSHJITFR-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.75
Rot. Bonds5

About 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide

2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide (PubChem CID 71910995) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide
PubChem CID71910995
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide
SMILESCC(CC(O)c1cccs1)NC(=O)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-10(9-13(18)14-7-4-8-20-14)17-15(19)11-5-2-3-6-12(11)16/h2-8,10,13,18H,9H2,1H3,(H,17,19)
InChIKeyTYLVWIHSHJITFR-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-bromobenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 42937932
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037
(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide
CID 110026098
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124574775
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol
CID 133451582
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
3-hydroxy-N-[(2S,4R)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4-nitrobenzamide
CID 124597022
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
1-(3-benzoylphenyl)-3-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]urea
CID 99596184

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide (CID 71910995) is 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide is CC(CC(O)c1cccs1)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide?
The InChIKey is TYLVWIHSHJITFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-10(9-13(18)14-7-4-8-20-14)17-15(19)11-5-2-3-6-12(11)16/h2-8,10,13,18H,9H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide?
2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide has a molecular weight of 354.27 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide is sourced from PubChem (CID 71910995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).