2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid

C9H9Br2NO3S — CID 102841092

IUPAC2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2NO3S/c1-2-12(4-13)7(9(14)15)6-3-5(10)8(11)16-6/h3-4,7H,2H2,1H3,(H,14,15)
InChIKeyANPPDKQKVZTYPM-UHFFFAOYSA-N
MW371.05 g/mol
LogP2.88
Rot. Bonds5

About 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid

2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid (PubChem CID 102841092) has the molecular formula C9H9Br2NO3S and a molecular weight of 371.05 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
PubChem CID102841092
Molecular FormulaC9H9Br2NO3S
Molecular Weight371.05 g/mol
Exact Mass368.87
IUPAC Name2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2NO3S/c1-2-12(4-13)7(9(14)15)6-3-5(10)8(11)16-6/h3-4,7H,2H2,1H3,(H,14,15)
InChIKeyANPPDKQKVZTYPM-UHFFFAOYSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.05
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63688329
2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 106528971
2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
CID 102844190
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 102841167
2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435
2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
CID 66129427
(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde
CID 175222168
2-(4,5-dibromothiophen-2-yl)-2-(prop-2-ynylamino)acetic acid
CID 102841028
2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702744
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid (CID 102841092) is 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid is CCN(C=O)C(C(=O)O)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid?
The InChIKey is ANPPDKQKVZTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO3S/c1-2-12(4-13)7(9(14)15)6-3-5(10)8(11)16-6/h3-4,7H,2H2,1H3,(H,14,15).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid?
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid has a molecular weight of 371.05 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid is sourced from PubChem (CID 102841092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).