2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid

C11H10BrNO2S2 — CID 115380653

IUPAC2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cccs1)c1sccc1Br
InChIInChI=1S/C11H10BrNO2S2/c12-8-3-5-17-10(8)9(11(14)15)13-6-7-2-1-4-16-7/h1-5,9,13H,6H2,(H,14,15)
InChIKeySVDQZJIJLUVNMU-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.49
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid

2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid (PubChem CID 115380653) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
PubChem CID115380653
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cccs1)c1sccc1Br
InChIInChI=1S/C11H10BrNO2S2/c12-8-3-5-17-10(8)9(11(14)15)13-6-7-2-1-4-16-7/h1-5,9,13H,6H2,(H,14,15)
InChIKeySVDQZJIJLUVNMU-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66156659
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66478987
2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
CID 115380650
2-(4-chloro-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 114843727
ethyl 2-(3-bromo-4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 83233271
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373
(2S)-2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 10633991
2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 4120536
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 20720633
methyl 2-(4-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 61345410

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid (CID 115380653) is 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid is O=C(O)C(NCc1cccs1)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid?
The InChIKey is SVDQZJIJLUVNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c12-8-3-5-17-10(8)9(11(14)15)13-6-7-2-1-4-16-7/h1-5,9,13H,6H2,(H,14,15).
What are the key properties of 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid?
2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid has a molecular weight of 332.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid is sourced from PubChem (CID 115380653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).