5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide

C16H17BrN2O2S2 — CID 55822134

IUPAC5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C16H17BrN2O2S2/c1-10(18-15(20)13-6-7-14(17)23-13)16(21)19-8-2-4-11(19)12-5-3-9-22-12/h3,5-7,9-11H,2,4,8H2,1H3,(H,18,20)
InChIKeyPGMVXBBMGNRARS-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.05
Rot. Bonds4

About 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 55822134) has the molecular formula C16H17BrN2O2S2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID55822134
Molecular FormulaC16H17BrN2O2S2
Molecular Weight413.36 g/mol
Exact Mass411.99
IUPAC Name5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C16H17BrN2O2S2/c1-10(18-15(20)13-6-7-14(17)23-13)16(21)19-8-2-4-11(19)12-5-3-9-22-12/h3,5-7,9-11H,2,4,8H2,1H3,(H,18,20)
InChIKeyPGMVXBBMGNRARS-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 102559913
(2R)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 99639632
N-[(2S)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 38609029
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119492735
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate
CID 55371486
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 93039678
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119520209
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119412744
2-(3,5-dimethylpyrazol-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 47993168
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100836454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide (CID 55822134) is 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)N1CCCC1c1cccs1.
What is the InChIKey of 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is PGMVXBBMGNRARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S2/c1-10(18-15(20)13-6-7-14(17)23-13)16(21)19-8-2-4-11(19)12-5-3-9-22-12/h3,5-7,9-11H,2,4,8H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 413.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55822134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).