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

C15H17BrN2OS — CID 2608949

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)Cc1cccs1
InChIInChI=1S/C15H17BrN2OS/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyCFDMQGUHDKUZAX-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.89
Rot. Bonds5

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

N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 2608949) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID2608949
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)Cc1cccs1
InChIInChI=1S/C15H17BrN2OS/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyCFDMQGUHDKUZAX-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

Analyze N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 2608949) is N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cccs1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is CFDMQGUHDKUZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-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-(4-bromo-2-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 2608949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).