N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C18H20F3NO2S — CID 97417494

IUPACN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(C)s1
InChIInChI=1S/C18H20F3NO2S/c1-12-3-9-16(25-12)15(24-2)11-22-17(23)10-6-13-4-7-14(8-5-13)18(19,20)21/h3-5,7-9,15H,6,10-11H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeySJRROSRUDWDFFC-HNNXBMFYSA-N
MW371.42 g/mol
LogP4.51
Rot. Bonds7

About N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 97417494) has the molecular formula C18H20F3NO2S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID97417494
Molecular FormulaC18H20F3NO2S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(C)s1
InChIInChI=1S/C18H20F3NO2S/c1-12-3-9-16(25-12)15(24-2)11-22-17(23)10-6-13-4-7-14(8-5-13)18(19,20)21/h3-5,7-9,15H,6,10-11H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeySJRROSRUDWDFFC-HNNXBMFYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 97417537
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]pent-4-enamide
CID 90598306
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97417390
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90598353
2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 97417429
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 71810342
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 31146992
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90598410
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 97417384

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 97417494) is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(C)s1.
What is the InChIKey of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SJRROSRUDWDFFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20F3NO2S/c1-12-3-9-16(25-12)15(24-2)11-22-17(23)10-6-13-4-7-14(8-5-13)18(19,20)21/h3-5,7-9,15H,6,10-11H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 371.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97417494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).