N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C13H15BrN2O3S — CID 18267056

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O3S/c14-10-2-1-9(20-10)5-7-15-11(17)6-8-16-12(18)3-4-13(16)19/h1-2H,3-8H2,(H,15,17)
InChIKeyHWNOSATYBSMABV-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.71
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 18267056) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID18267056
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O3S/c14-10-2-1-9(20-10)5-7-15-11(17)6-8-16-12(18)3-4-13(16)19/h1-2H,3-8H2,(H,15,17)
InChIKeyHWNOSATYBSMABV-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 18120397
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 29306500
4-[3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182566
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
CID 104696927
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64546220
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione
CID 60771825
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30215788
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 18267056) is N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is HWNOSATYBSMABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c14-10-2-1-9(20-10)5-7-15-11(17)6-8-16-12(18)3-4-13(16)19/h1-2H,3-8H2,(H,15,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 359.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 18267056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).