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

C10H14BrN3O2S — CID 40702203

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrN3O2S/c1-12-10(16)13-9(15)6-14(2)5-7-3-4-8(11)17-7/h3-4H,5-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyWONKSBUWSJYILV-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.40
Rot. Bonds4

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

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide (PubChem CID 40702203) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
PubChem CID40702203
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrN3O2S/c1-12-10(16)13-9(15)6-14(2)5-7-3-4-8(11)17-7/h3-4H,5-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyWONKSBUWSJYILV-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(butylcarbamoyl)acetamide
CID 26650831
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
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-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 9299662
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 8971820
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-[1-(4-chlorophenyl)ethyl]acetamide
CID 84973908
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 9299053
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 8558737
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873746

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide (CID 40702203) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide?
The InChIKey is WONKSBUWSJYILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-12-10(16)13-9(15)6-14(2)5-7-3-4-8(11)17-7/h3-4H,5-6H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide has a molecular weight of 320.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 40702203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).