N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C15H17BrN2OS — CID 9054511

IUPACN-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccsc2)c(Br)c1
InChIInChI=1S/C15H17BrN2OS/c1-11-3-4-14(13(16)7-11)17-15(19)9-18(2)8-12-5-6-20-10-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyGPWLIXMEASIZDU-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.89
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 9054511) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID9054511
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccsc2)c(Br)c1
InChIInChI=1S/C15H17BrN2OS/c1-11-3-4-14(13(16)7-11)17-15(19)9-18(2)8-12-5-6-20-10-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyGPWLIXMEASIZDU-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
CID 31380089
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698320
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 60516341
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051999
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 9054511) is N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccsc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is GPWLIXMEASIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-11-3-4-14(13(16)7-11)17-15(19)9-18(2)8-12-5-6-20-10-12/h3-7,10H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 353.29 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 9054511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).