(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid

C13H9BrClNO3S — CID 107314545

IUPAC(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C13H9BrClNO3S/c14-10-6-5-9(20-10)12(17)16-11(13(18)19)7-3-1-2-4-8(7)15/h1-6,11H,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyZXAHPJCDBBXCGZ-LLVKDONJSA-N
MW374.64 g/mol
LogP3.72
Rot. Bonds4

About (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107314545) has the molecular formula C13H9BrClNO3S and a molecular weight of 374.64 g/mol. Its IUPAC name is (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107314545
Molecular FormulaC13H9BrClNO3S
Molecular Weight374.64 g/mol
Exact Mass372.92
IUPAC Name(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C13H9BrClNO3S/c14-10-6-5-9(20-10)12(17)16-11(13(18)19)7-3-1-2-4-8(7)15/h1-6,11H,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyZXAHPJCDBBXCGZ-LLVKDONJSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315066
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
CID 63523885
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
CID 114311057
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315280
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983214
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid (CID 107314545) is (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1Cl)c1ccc(Br)s1.
What is the InChIKey of (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is ZXAHPJCDBBXCGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H9BrClNO3S/c14-10-6-5-9(20-10)12(17)16-11(13(18)19)7-3-1-2-4-8(7)15/h1-6,11H,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 374.64 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107314545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).