(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid

C13H9Br2NO3S — CID 61144895

IUPAC(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H9Br2NO3S/c14-8-6-9(20-11(8)15)12(17)16-10(13(18)19)7-4-2-1-3-5-7/h1-6,10H,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyBDRUBXRTSYHHLK-SNVBAGLBSA-N
MW419.09 g/mol
LogP3.83
Rot. Bonds4

About (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61144895) has the molecular formula C13H9Br2NO3S and a molecular weight of 419.09 g/mol. Its IUPAC name is (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID61144895
Molecular FormulaC13H9Br2NO3S
Molecular Weight419.09 g/mol
Exact Mass416.87
IUPAC Name(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H9Br2NO3S/c14-8-6-9(20-11(8)15)12(17)16-10(13(18)19)7-4-2-1-3-5-7/h1-6,10H,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyBDRUBXRTSYHHLK-SNVBAGLBSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
CID 112723097
(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid
CID 103804649
(2S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61136905
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 43240005
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid (CID 61144895) is (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Br)c(Br)s1.
What is the InChIKey of (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is BDRUBXRTSYHHLK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H9Br2NO3S/c14-8-6-9(20-11(8)15)12(17)16-10(13(18)19)7-4-2-1-3-5-7/h1-6,10H,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 419.09 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61144895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).