2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide

C14H11ClF3NO2S2 — CID 38206399

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO2S2/c15-12-5-4-11(23-12)7-22-8-13(20)19-9-2-1-3-10(6-9)21-14(16,17)18/h1-6H,7-8H2,(H,19,20)
InChIKeyFNSYFVUDPOHTRG-UHFFFAOYSA-N
MW381.83 g/mol
LogP5.17
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 38206399) has the molecular formula C14H11ClF3NO2S2 and a molecular weight of 381.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID38206399
Molecular FormulaC14H11ClF3NO2S2
Molecular Weight381.83 g/mol
Exact Mass380.99
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO2S2/c15-12-5-4-11(23-12)7-22-8-13(20)19-9-2-1-3-10(6-9)21-14(16,17)18/h1-6H,7-8H2,(H,19,20)
InChIKeyFNSYFVUDPOHTRG-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38033659
tert-butyl N-[2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylethyl]carbamate
CID 84551861
5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid
CID 63153997
potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 72703945
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791657
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
2-[4-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyrazol-1-yl]acetic acid
CID 61017351

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 38206399) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(CSCc1ccc(Cl)s1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FNSYFVUDPOHTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S2/c15-12-5-4-11(23-12)7-22-8-13(20)19-9-2-1-3-10(6-9)21-14(16,17)18/h1-6H,7-8H2,(H,19,20).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 381.83 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 38206399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).