cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H20F3NO3S — CID 124829902

IUPACcis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(C1CC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H20F3NO3S/c19-18(20,21)16-4-2-1-3-13(16)14-9-15(14)17(23)22(11-5-6-11)12-7-8-26(24,25)10-12/h1-4,11-12,14-15H,5-10H2/t12-,14+,15+/m0/s1
InChIKeyOMEKZOHMKYJEEU-NWANDNLSSA-N
MW387.42 g/mol
LogP2.99
Rot. Bonds4

About cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 124829902) has the molecular formula C18H20F3NO3S and a molecular weight of 387.42 g/mol. Its IUPAC name is cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID124829902
Molecular FormulaC18H20F3NO3S
Molecular Weight387.42 g/mol
Exact Mass387.11
IUPAC Namecis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(C1CC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H20F3NO3S/c19-18(20,21)16-4-2-1-3-13(16)14-9-15(14)17(23)22(11-5-6-11)12-7-8-26(24,25)10-12/h1-4,11-12,14-15H,5-10H2/t12-,14+,15+/m0/s1
InChIKeyOMEKZOHMKYJEEU-NWANDNLSSA-N
XLogP2.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806629
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 96545552
N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119443435
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide
CID 167987943
N-(1,1-dioxothiolan-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 102566375
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylcyclopropane-1-carboxamide
CID 110675464
3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 75495592
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-iodobenzamide
CID 55452976
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
CID 166208442

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 124829902) is cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(C1CC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OMEKZOHMKYJEEU-NWANDNLSSA-N. The full InChI is InChI=1S/C18H20F3NO3S/c19-18(20,21)16-4-2-1-3-13(16)14-9-15(14)17(23)22(11-5-6-11)12-7-8-26(24,25)10-12/h1-4,11-12,14-15H,5-10H2/t12-,14+,15+/m0/s1.
What are the key properties of cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124829902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).