2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

C12H15BrN2O2S — CID 60681800

IUPAC2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H15BrN2O2S/c1-15(7-12(17)14-8-2-3-8)6-9(16)10-4-5-11(13)18-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,17)
InChIKeyMTNCGDZXBKAFBE-UHFFFAOYSA-N
MW331.24 g/mol
LogP1.90
Rot. Bonds6

About 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 60681800) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
PubChem CID60681800
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H15BrN2O2S/c1-15(7-12(17)14-8-2-3-8)6-9(16)10-4-5-11(13)18-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,17)
InChIKeyMTNCGDZXBKAFBE-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119450670
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide
CID 86910139
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469
N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide
CID 60677016
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
CID 63524780
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 3245023
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide
CID 64622647

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (CID 60681800) is 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)CC(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is MTNCGDZXBKAFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-15(7-12(17)14-8-2-3-8)6-9(16)10-4-5-11(13)18-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,17).
What are the key properties of 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 331.24 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 60681800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).