N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide

C15H14F3NO2S — CID 18783032

IUPACN-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1csc2ccc3c(c12)CCCO3)C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)14(20)19-6-5-9-8-22-12-4-3-11-10(13(9)12)2-1-7-21-11/h3-4,8H,1-2,5-7H2,(H,19,20)
InChIKeyLRZKBPNKFUGHSQ-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.45
Rot. Bonds3

About N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 18783032) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID18783032
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1csc2ccc3c(c12)CCCO3)C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)14(20)19-6-5-9-8-22-12-4-3-11-10(13(9)12)2-1-7-21-11/h3-4,8H,1-2,5-7H2,(H,19,20)
InChIKeyLRZKBPNKFUGHSQ-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(2-(5-methoxybenzo(b)thien-3-yl)ethyl)-
CID 34247
AANAT Inhibitor, 8d
CID 10087862
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CID 53238412
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
CID 10085672
Cyclopropanecarboxylic acid [2-(5-methoxy-benzo[b]thiophen-3-yl)-ethyl]-amide
CID 10333620
N-[2-(7-{4-[3-(2-Acetylaminoethyl)benzo[b]thiophen-5-yloxy]butoxy}naphthalen-1-yl)ethyl]acetamide
CID 18360658
2-Iodo-N-[2-(5-methoxy-benzo[b]thiophen-3-yl)-ethyl]-acetamide
CID 10248871
N-[2-(5-propoxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 44359479
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]prop-2-enamide
CID 85833401
N-[2-(6-Fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 13238025
2,2,2-trifluoro-N-[2-[5-[4-[[3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1-benzothiophen-5-yl]oxy]butoxy]-1-benzothiophen-3-yl]ethyl]acetamide
CID 18007975
N-[2-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-3-yl]ethyl]acetamide
CID 18360652

Frequently Asked Questions

What is the IUPAC name of N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 18783032) is N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCc1csc2ccc3c(c12)CCCO3)C(F)(F)F.
What is the InChIKey of N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is LRZKBPNKFUGHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c16-15(17,18)14(20)19-6-5-9-8-22-12-4-3-11-10(13(9)12)2-1-7-21-11/h3-4,8H,1-2,5-7H2,(H,19,20).
What are the key properties of N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 329.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18783032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).