3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide

C12H10BrNO2S2 — CID 58248831

IUPAC3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)c2sccc2Br)s1
InChIInChI=1S/C12H10BrNO2S2/c1-7-2-3-10(18-7)9(15)6-14-12(16)11-8(13)4-5-17-11/h2-5H,6H2,1H3,(H,14,16)
InChIKeyMZNKXDFMUTTWFV-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.49
Rot. Bonds4

About 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide

3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 58248831) has the molecular formula C12H10BrNO2S2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID58248831
Molecular FormulaC12H10BrNO2S2
Molecular Weight344.26 g/mol
Exact Mass342.93
IUPAC Name3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)c2sccc2Br)s1
InChIInChI=1S/C12H10BrNO2S2/c1-7-2-3-10(18-7)9(15)6-14-12(16)11-8(13)4-5-17-11/h2-5H,6H2,1H3,(H,14,16)
InChIKeyMZNKXDFMUTTWFV-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248872
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 60778066
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea
CID 47028537
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066293
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63801472

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 58248831) is 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)CNC(=O)c2sccc2Br)s1.
What is the InChIKey of 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MZNKXDFMUTTWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S2/c1-7-2-3-10(18-7)9(15)6-14-12(16)11-8(13)4-5-17-11/h2-5H,6H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 344.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 58248831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).