5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide

C14H14BrNO2S — CID 95040081

IUPAC5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S/c15-13-7-6-12(19-13)14(18)16-11(9-17)8-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)/t11-/m1/s1
InChIKeyIQIGWDOVDKDWFE-LLVKDONJSA-N
MW340.24 g/mol
LogP2.84
Rot. Bonds5

About 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 95040081) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID95040081
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S/c15-13-7-6-12(19-13)14(18)16-11(9-17)8-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)/t11-/m1/s1
InChIKeyIQIGWDOVDKDWFE-LLVKDONJSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-5-bromothiophene-2-carboxamide
CID 49084011
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983214
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 114010232
2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861126
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618194
N-(1-hydroxy-3-phenylpropan-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 75437818
5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 95040081) is 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is IQIGWDOVDKDWFE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c15-13-7-6-12(19-13)14(18)16-11(9-17)8-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)/t11-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95040081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).