N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide

C20H22F3NO2S — CID 24947077

IUPACN-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(OC(F)(F)F)cc2)s1)NC1CCCCC1
InChIInChI=1S/C20H22F3NO2S/c21-20(22,23)26-16-8-6-14(7-9-16)18-12-10-17(27-18)11-13-19(25)24-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11,13H2,(H,24,25)
InChIKeyVKWJWQJKCHLQAO-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.70
Rot. Bonds6

About N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide

N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide (PubChem CID 24947077) has the molecular formula C20H22F3NO2S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide
PubChem CID24947077
Molecular FormulaC20H22F3NO2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC NameN-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(OC(F)(F)F)cc2)s1)NC1CCCCC1
InChIInChI=1S/C20H22F3NO2S/c21-20(22,23)26-16-8-6-14(7-9-16)18-12-10-17(27-18)11-13-19(25)24-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11,13H2,(H,24,25)
InChIKeyVKWJWQJKCHLQAO-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide (CID 24947077) is N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide is O=C(CCc1ccc(-c2ccc(OC(F)(F)F)cc2)s1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide?
The InChIKey is VKWJWQJKCHLQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2S/c21-20(22,23)26-16-8-6-14(7-9-16)18-12-10-17(27-18)11-13-19(25)24-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11,13H2,(H,24,25).
What are the key properties of N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide?
N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide has a molecular weight of 397.46 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 24947077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).