2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C20H17F2NOS2 — CID 39044875

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C20H17F2NOS2/c21-16-7-3-14(4-8-16)20(15-5-9-17(22)10-6-15)26-13-19(24)23-12-18-2-1-11-25-18/h1-11,20H,12-13H2,(H,23,24)
InChIKeyYFRIGPAEWOXHGE-UHFFFAOYSA-N
MW389.49 g/mol
LogP5.17
Rot. Bonds7

About 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 39044875) has the molecular formula C20H17F2NOS2 and a molecular weight of 389.49 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID39044875
Molecular FormulaC20H17F2NOS2
Molecular Weight389.49 g/mol
Exact Mass389.07
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C20H17F2NOS2/c21-16-7-3-14(4-8-16)20(15-5-9-17(22)10-6-15)26-13-19(24)23-12-18-2-1-11-25-18/h1-11,20H,12-13H2,(H,23,24)
InChIKeyYFRIGPAEWOXHGE-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 43303693
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2575147
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 7256979
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17459369
4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid
CID 43242269
N'-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 30835462
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 34375365
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 39044875) is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCc1cccs1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YFRIGPAEWOXHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NOS2/c21-16-7-3-14(4-8-16)20(15-5-9-17(22)10-6-15)26-13-19(24)23-12-18-2-1-11-25-18/h1-11,20H,12-13H2,(H,23,24).
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 389.49 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 39044875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).