4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide

C14H19BrN2O2S — CID 2225105

IUPAC4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCCCN2CCCC2=O)cc1Br
InChIInChI=1S/C14H19BrN2O2S/c1-2-11-10(15)9-12(20-11)14(19)16-6-4-8-17-7-3-5-13(17)18/h9H,2-8H2,1H3,(H,16,19)
InChIKeyHYUVCMNLMSKHPZ-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.82
Rot. Bonds6

About 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide

4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 2225105) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
PubChem CID2225105
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCCCN2CCCC2=O)cc1Br
InChIInChI=1S/C14H19BrN2O2S/c1-2-11-10(15)9-12(20-11)14(19)16-6-4-8-17-7-3-5-13(17)18/h9H,2-8H2,1H3,(H,16,19)
InChIKeyHYUVCMNLMSKHPZ-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-ethyl-N-(1-methyl-4-piperidinyl)-2-thiophenecarboxamide
CID 1247737
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
5-bromo-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]thiophene-2-carboxamide
CID 90644696
(4-Bromo-5-ethylthiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6470358
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
4-bromo-5-ethyl-N-methylthiophene-2-carboxamide
CID 1245565
5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide
CID 4989136
5-bromo-N-[4-[3-[(5-bromothiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145951692
N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 2225184
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841
2,5-Dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45228805
N-(2-acetamidoethyl)-3-bromothiophene-2-carboxamide
CID 47038926

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide (CID 2225105) is 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide is CCc1sc(C(=O)NCCCN2CCCC2=O)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is HYUVCMNLMSKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-2-11-10(15)9-12(20-11)14(19)16-6-4-8-17-7-3-5-13(17)18/h9H,2-8H2,1H3,(H,16,19).
What are the key properties of 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 359.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2225105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).