4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide

C11H12Br2N2O3S — CID 83095896

IUPAC4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H12Br2N2O3S/c12-9-3-6(10(13)19-9)8(16)4-15-1-2-18-5-7(15)11(14)17/h3,7H,1-2,4-5H2,(H2,14,17)
InChIKeyICKLKJDKAIATHH-UHFFFAOYSA-N
MW412.10 g/mol
LogP1.64
Rot. Bonds4

About 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide

4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83095896) has the molecular formula C11H12Br2N2O3S and a molecular weight of 412.10 g/mol. Its IUPAC name is 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83095896
Molecular FormulaC11H12Br2N2O3S
Molecular Weight412.10 g/mol
Exact Mass409.89
IUPAC Name4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H12Br2N2O3S/c12-9-3-6(10(13)19-9)8(16)4-15-1-2-18-5-7(15)11(14)17/h3,7H,1-2,4-5H2,(H2,14,17)
InChIKeyICKLKJDKAIATHH-UHFFFAOYSA-N
XLogP1.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.10
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,5-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83096666
1-(2,5-dibromothiophen-3-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62974697
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095436
4-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83096573
4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide
CID 83089877
4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095631
4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide
CID 83102345
4-[2-oxo-2-(oxolan-3-yl)ethyl]morpholine-3-carboxamide
CID 104751036
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
4-[(3-methylcyclobutyl)methyl]morpholine-3-carboxamide
CID 123511667
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62051251

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide (CID 83095896) is 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is ICKLKJDKAIATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O3S/c12-9-3-6(10(13)19-9)8(16)4-15-1-2-18-5-7(15)11(14)17/h3,7H,1-2,4-5H2,(H2,14,17).
What are the key properties of 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 412.10 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).