2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

C20H21FN2OS2 — CID 8801393

IUPAC2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)NCCc1ccccc1F
InChIInChI=1S/C20H21FN2OS2/c21-19-8-2-1-5-16(19)9-10-22-20(24)15-23(13-17-6-3-11-25-17)14-18-7-4-12-26-18/h1-8,11-12H,9-10,13-15H2,(H,22,24)
InChIKeyBFXNTIIXSJWDHH-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.31
Rot. Bonds9

About 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 8801393) has the molecular formula C20H21FN2OS2 and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID8801393
Molecular FormulaC20H21FN2OS2
Molecular Weight388.53 g/mol
Exact Mass388.11
IUPAC Name2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)NCCc1ccccc1F
InChIInChI=1S/C20H21FN2OS2/c21-19-8-2-1-5-16(19)9-10-22-20(24)15-23(13-17-6-3-11-25-17)14-18-7-4-12-26-18/h1-8,11-12H,9-10,13-15H2,(H,22,24)
InChIKeyBFXNTIIXSJWDHH-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8842242
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785
3-[2-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87000019
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115631915

Frequently Asked Questions

What is the IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 8801393) is 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is O=C(CN(Cc1cccs1)Cc1cccs1)NCCc1ccccc1F.
What is the InChIKey of 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is BFXNTIIXSJWDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS2/c21-19-8-2-1-5-16(19)9-10-22-20(24)15-23(13-17-6-3-11-25-17)14-18-7-4-12-26-18/h1-8,11-12H,9-10,13-15H2,(H,22,24).
What are the key properties of 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 8801393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).