1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one

C15H16BrNO2S — CID 140598902

IUPAC1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one
SMILESCC(Nc1ccc(C(C)O)cc1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNO2S/c1-9(15(19)13-7-8-14(16)20-13)17-12-5-3-11(4-6-12)10(2)18/h3-10,17-18H,1-2H3
InChIKeyIQXFVFYHQZPZDA-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.25
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one

1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one (PubChem CID 140598902) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one
PubChem CID140598902
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one
SMILESCC(Nc1ccc(C(C)O)cc1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNO2S/c1-9(15(19)13-7-8-14(16)20-13)17-12-5-3-11(4-6-12)10(2)18/h3-10,17-18H,1-2H3
InChIKeyIQXFVFYHQZPZDA-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(1,1-dihydroxyethylamino)propan-1-one
CID 140598923
1-(5-bromothiophen-2-yl)-2-chloropropan-1-one
CID 61103388
1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826737
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923505
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
N-propan-2-yl-2-(4-propan-2-ylanilino)propanamide
CID 43084814
(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
CID 155933844
methyl 3-(5-bromothiophen-2-yl)-2-chloro-3-oxopropanoate
CID 82490118
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55831882
1-[4-[4-(1-hydroxyethyl)anilino]phenyl]ethanol
CID 18521146

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one (CID 140598902) is 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one is CC(Nc1ccc(C(C)O)cc1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one?
The InChIKey is IQXFVFYHQZPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-9(15(19)13-7-8-14(16)20-13)17-12-5-3-11(4-6-12)10(2)18/h3-10,17-18H,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one?
1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one has a molecular weight of 354.27 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)anilino]propan-1-one is sourced from PubChem (CID 140598902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).