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

C16H19FN2OS — CID 87013271

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(C)Cc1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-12-7-8-21-15(12)9-18-16(20)11-19(2)10-13-5-3-4-6-14(13)17/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyVIRUTTQSPFUUDS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.94
Rot. Bonds6

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

2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 87013271) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID87013271
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(C)Cc1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-12-7-8-21-15(12)9-18-16(20)11-19(2)10-13-5-3-4-6-14(13)17/h3-8H,9-11H2,1-2H3,(H,18,20)
InChIKeyVIRUTTQSPFUUDS-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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 91787380
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
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
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8695782
2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 118766740

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 87013271) is 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN(C)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is VIRUTTQSPFUUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-12-7-8-21-15(12)9-18-16(20)11-19(2)10-13-5-3-4-6-14(13)17/h3-8H,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]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 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 87013271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).