5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid

C10H10BrNO5S — CID 141154699

IUPAC5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCOC(=O)CNC(=O)c1cc(Br)sc1C(=O)O
InChIInChI=1S/C10H10BrNO5S/c1-2-17-7(13)4-12-9(14)5-3-6(11)18-8(5)10(15)16/h3H,2,4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMKXPNFIJAXSFPK-UHFFFAOYSA-N
MW336.16 g/mol
LogP1.50
Rot. Bonds5

About 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid

5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 141154699) has the molecular formula C10H10BrNO5S and a molecular weight of 336.16 g/mol. Its IUPAC name is 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID141154699
Molecular FormulaC10H10BrNO5S
Molecular Weight336.16 g/mol
Exact Mass334.95
IUPAC Name5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCOC(=O)CNC(=O)c1cc(Br)sc1C(=O)O
InChIInChI=1S/C10H10BrNO5S/c1-2-17-7(13)4-12-9(14)5-3-6(11)18-8(5)10(15)16/h3H,2,4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMKXPNFIJAXSFPK-UHFFFAOYSA-N
XLogP1.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
ethyl 2-[(3-bromo-2,5-dimethoxybenzoyl)amino]acetate
CID 47257365
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
ethyl 3-(5-bromo-3-ethylthiophen-2-yl)-3-oxopropanoate
CID 70943327
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939
ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 139749941
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid (CID 141154699) is 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid is CCOC(=O)CNC(=O)c1cc(Br)sc1C(=O)O.
What is the InChIKey of 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is MKXPNFIJAXSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO5S/c1-2-17-7(13)4-12-9(14)5-3-6(11)18-8(5)10(15)16/h3H,2,4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid?
5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 336.16 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 141154699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).