[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C15H18F5NO2S — CID 71914040

IUPAC[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C15H18F5NO2S/c1-3-5-14(15(18,19)20)6-4-7-21(14)12(22)11-10(23-13(16)17)8-9(2)24-11/h8,13H,3-7H2,1-2H3
InChIKeySDKVTPULSQNORU-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.00
Rot. Bonds5

About [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 71914040) has the molecular formula C15H18F5NO2S and a molecular weight of 371.37 g/mol. Its IUPAC name is [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID71914040
Molecular FormulaC15H18F5NO2S
Molecular Weight371.37 g/mol
Exact Mass371.10
IUPAC Name[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C15H18F5NO2S/c1-3-5-14(15(18,19)20)6-4-7-21(14)12(22)11-10(23-13(16)17)8-9(2)24-11/h8,13H,3-7H2,1-2H3
InChIKeySDKVTPULSQNORU-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 56790599
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 72013954
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 72014074
(4-Cyclopropylpiperazin-1-yl)-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 72014113
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 72105449
3-(difluoromethoxy)-5-methyl-N-(2-sulfanylethyl)thiophene-2-carboxamide
CID 177679782
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 19864622
3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide
CID 56790601
3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide
CID 71867296
3-(difluoromethoxy)-5-methyl-N-[4-(oxolan-2-yl)butan-2-yl]thiophene-2-carboxamide
CID 72014099
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 72134852
3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide
CID 97213639

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 71914040) is [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is CCCC1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SDKVTPULSQNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5NO2S/c1-3-5-14(15(18,19)20)6-4-7-21(14)12(22)11-10(23-13(16)17)8-9(2)24-11/h8,13H,3-7H2,1-2H3.
What are the key properties of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 371.37 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71914040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).