5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide

C12H15BrN2O2S — CID 47267922

IUPAC5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1csc(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c1-8(6-15-4-2-3-11(15)16)14-12(17)9-5-10(13)18-7-9/h5,7-8H,2-4,6H2,1H3,(H,14,17)
InChIKeyDYXVJDBNPYCJLT-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.25
Rot. Bonds4

About 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide

5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide (PubChem CID 47267922) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
PubChem CID47267922
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1csc(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c1-8(6-15-4-2-3-11(15)16)14-12(17)9-5-10(13)18-7-9/h5,7-8H,2-4,6H2,1H3,(H,14,17)
InChIKeyDYXVJDBNPYCJLT-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60934371
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
3-bromo-2-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 97054372
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 95316080
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513
3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 164637041
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
4-bromo-2-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 78988208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide (CID 47267922) is 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide is CC(CN1CCCC1=O)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide?
The InChIKey is DYXVJDBNPYCJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-8(6-15-4-2-3-11(15)16)14-12(17)9-5-10(13)18-7-9/h5,7-8H,2-4,6H2,1H3,(H,14,17).
What are the key properties of 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide?
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47267922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).