N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide

C14H15BrN2OS — CID 115379864

IUPACN-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2sccc2Br)cc1C
InChIInChI=1S/C14H15BrN2OS/c1-9-7-11(3-4-13(9)17-10(2)18)16-8-14-12(15)5-6-19-14/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyYYJGNQBXOIFGJJ-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.39
Rot. Bonds4

About N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide

N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide (PubChem CID 115379864) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
PubChem CID115379864
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2sccc2Br)cc1C
InChIInChI=1S/C14H15BrN2OS/c1-9-7-11(3-4-13(9)17-10(2)18)16-8-14-12(15)5-6-19-14/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyYYJGNQBXOIFGJJ-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 113298001
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263
methyl 4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzoate
CID 115380055
N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
CID 107591392
tert-butyl N-[4-[(3-bromothiophen-2-yl)methylamino]phenyl]carbamate
CID 104756602
N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 86793126
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide (CID 115379864) is N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(NCc2sccc2Br)cc1C.
What is the InChIKey of N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is YYJGNQBXOIFGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-7-11(3-4-13(9)17-10(2)18)16-8-14-12(15)5-6-19-14/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 339.26 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 115379864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).