2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

C11H16BrN3O2S — CID 47364268

IUPAC2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrN3O2S/c1-14(5-10(13)16)6-11(17)15(2)4-9-3-8(12)7-18-9/h3,7H,4-6H2,1-2H3,(H2,13,16)
InChIKeyLQOGVSUNDYVEGH-UHFFFAOYSA-N
MW334.24 g/mol
LogP0.89
Rot. Bonds6

About 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 47364268) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID47364268
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrN3O2S/c1-14(5-10(13)16)6-11(17)15(2)4-9-3-8(12)7-18-9/h3,7H,4-6H2,1-2H3,(H2,13,16)
InChIKeyLQOGVSUNDYVEGH-UHFFFAOYSA-N
XLogP0.89
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (CID 47364268) is 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is CN(CC(N)=O)CC(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is LQOGVSUNDYVEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-14(5-10(13)16)6-11(17)15(2)4-9-3-8(12)7-18-9/h3,7H,4-6H2,1-2H3,(H2,13,16).
What are the key properties of 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 334.24 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 47364268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).