N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

C16H19FN2OS — CID 8804591

IUPACN-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)NCc1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-12-7-8-21-15(12)10-19(2)11-16(20)18-9-13-5-3-4-6-14(13)17/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyXFKQPFCNJKKPQN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.94
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 8804591) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID8804591
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)NCc1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-12-7-8-21-15(12)10-19(2)11-16(20)18-9-13-5-3-4-6-14(13)17/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyXFKQPFCNJKKPQN-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]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

Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013271
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 91787380
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-(5-chloro-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9434187
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide
CID 60525035
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111496842
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (CID 8804591) is N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is Cc1ccsc1CN(C)CC(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is XFKQPFCNJKKPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-12-7-8-21-15(12)10-19(2)11-16(20)18-9-13-5-3-4-6-14(13)17/h3-8H,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8804591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).