(2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide

C19H16BrNO2S — CID 51535760

IUPAC(2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C19H16BrNO2S/c1-13(23-15-10-8-14(20)9-11-15)19(22)21-17-6-3-2-5-16(17)18-7-4-12-24-18/h2-13H,1H3,(H,21,22)/t13-/m0/s1
InChIKeyIQZPOIYHAVHZMF-ZDUSSCGKSA-N
MW402.31 g/mol
LogP5.58
Rot. Bonds5

About (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide

(2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide (PubChem CID 51535760) has the molecular formula C19H16BrNO2S and a molecular weight of 402.31 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
PubChem CID51535760
Molecular FormulaC19H16BrNO2S
Molecular Weight402.31 g/mol
Exact Mass401.01
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C19H16BrNO2S/c1-13(23-15-10-8-14(20)9-11-15)19(22)21-17-6-3-2-5-16(17)18-7-4-12-24-18/h2-13H,1H3,(H,21,22)/t13-/m0/s1
InChIKeyIQZPOIYHAVHZMF-ZDUSSCGKSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.31
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
CID 51327828
3-[2-(4-bromophenoxy)propanoylamino]thiophene-2-carboxylic acid
CID 43357972
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2S)-2-(4-acetylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7763807
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide (CID 51535760) is (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide is C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-c1cccs1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide?
The InChIKey is IQZPOIYHAVHZMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16BrNO2S/c1-13(23-15-10-8-14(20)9-11-15)19(22)21-17-6-3-2-5-16(17)18-7-4-12-24-18/h2-13H,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide?
(2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide has a molecular weight of 402.31 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-(2-thiophen-2-ylphenyl)propanamide is sourced from PubChem (CID 51535760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).