2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide

C15H14BrN3OS — CID 60977090

IUPAC2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1csc(Br)c1
InChIInChI=1S/C15H14BrN3OS/c1-19(8-12-6-14(16)21-10-12)9-15(20)18-13-4-2-11(7-17)3-5-13/h2-6,10H,8-9H2,1H3,(H,18,20)
InChIKeyYOWDEFCOGJXZIR-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.45
Rot. Bonds5

About 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide

2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide (PubChem CID 60977090) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
PubChem CID60977090
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1csc(Br)c1
InChIInChI=1S/C15H14BrN3OS/c1-19(8-12-6-14(16)21-10-12)9-15(20)18-13-4-2-11(7-17)3-5-13/h2-6,10H,8-9H2,1H3,(H,18,20)
InChIKeyYOWDEFCOGJXZIR-UHFFFAOYSA-N
XLogP3.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
CID 47389178
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 86931145
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
N-[(5-bromothiophen-3-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 61394479
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]benzonitrile
CID 54942356
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide (CID 60977090) is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)Cc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
The InChIKey is YOWDEFCOGJXZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-19(8-12-6-14(16)21-10-12)9-15(20)18-13-4-2-11(7-17)3-5-13/h2-6,10H,8-9H2,1H3,(H,18,20).
What are the key properties of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide has a molecular weight of 364.27 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 60977090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).