3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide

C16H19BrN2O2S — CID 37423353

IUPAC3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN(C)Cc1ccc(Br)o1
InChIInChI=1S/C16H19BrN2O2S/c1-19(11-12-7-8-15(17)21-12)10-9-16(20)18-13-5-3-4-6-14(13)22-2/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyLVSPCSXVIGFUAG-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.22
Rot. Bonds7

About 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide

3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 37423353) has the molecular formula C16H19BrN2O2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID37423353
Molecular FormulaC16H19BrN2O2S
Molecular Weight383.31 g/mol
Exact Mass382.04
IUPAC Name3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN(C)Cc1ccc(Br)o1
InChIInChI=1S/C16H19BrN2O2S/c1-19(11-12-7-8-15(17)21-12)10-9-16(20)18-13-5-3-4-6-14(13)22-2/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyLVSPCSXVIGFUAG-UHFFFAOYSA-N
XLogP4.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 111496944
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 51303066
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 56525115
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[methyl(2-methylsulfonylethyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 47104704
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol
CID 62335415
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-[2-(N-methylanilino)propyl]urea
CID 87005390
N,N-dimethyl-4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxamide
CID 55682674

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide (CID 37423353) is 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCN(C)Cc1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is LVSPCSXVIGFUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2S/c1-19(11-12-7-8-15(17)21-12)10-9-16(20)18-13-5-3-4-6-14(13)22-2/h3-8H,9-11H2,1-2H3,(H,18,20).
What are the key properties of 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide?
3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 383.31 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 37423353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).