2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide

C13H17BrN2O2S — CID 62037421

IUPAC2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide
SMILESNC(=O)CN(CC(=O)c1sccc1Br)C1CCCC1
InChIInChI=1S/C13H17BrN2O2S/c14-10-5-6-19-13(10)11(17)7-16(8-12(15)18)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H2,15,18)
InChIKeyBLGBHTYJUZZXOP-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.42
Rot. Bonds6

About 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide

2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide (PubChem CID 62037421) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide
PubChem CID62037421
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide
SMILESNC(=O)CN(CC(=O)c1sccc1Br)C1CCCC1
InChIInChI=1S/C13H17BrN2O2S/c14-10-5-6-19-13(10)11(17)7-16(8-12(15)18)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H2,15,18)
InChIKeyBLGBHTYJUZZXOP-UHFFFAOYSA-N
XLogP2.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
CID 78974133
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62028973
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
1-(3-bromothiophen-2-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632869
1-(3-bromothiophen-2-yl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43794700
1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone
CID 82742077
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
1-(3-bromothiophen-2-yl)-2-(2-ethylcyclohexyl)oxyethanone
CID 43798171
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone
CID 116555084
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide?
The IUPAC name of 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide (CID 62037421) is 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide?
The canonical SMILES for 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide is NC(=O)CN(CC(=O)c1sccc1Br)C1CCCC1.
What is the InChIKey of 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide?
The InChIKey is BLGBHTYJUZZXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c14-10-5-6-19-13(10)11(17)7-16(8-12(15)18)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H2,15,18).
What are the key properties of 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide?
2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide has a molecular weight of 345.26 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide is sourced from PubChem (CID 62037421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).