2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide

C10H15BrN2OS — CID 60670553

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-3-12-10(14)7-13(2)6-8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyYHYKQRYZOQUZGW-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.08
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide (PubChem CID 60670553) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
PubChem CID60670553
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-3-12-10(14)7-13(2)6-8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyYHYKQRYZOQUZGW-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 40702203
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(butylcarbamoyl)acetamide
CID 26650831
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 8971820
2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 9299662
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84973908
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9298717
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 9299053
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873746
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide (CID 60670553) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide?
The InChIKey is YHYKQRYZOQUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-12-10(14)7-13(2)6-8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide has a molecular weight of 291.21 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 60670553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).