methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate

C18H16F3NO3S — CID 154877020

IUPACmethyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)C(NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C18H16F3NO3S/c1-25-17(24)15(14-6-3-7-26-14)22-16(23)13-9-12(13)10-4-2-5-11(8-10)18(19,20)21/h2-8,12-13,15H,9H2,1H3,(H,22,23)/t12-,13+,15?/m0/s1
InChIKeyFJBNTXNBVLWRKH-IKCIUXDWSA-N
MW383.39 g/mol
LogP3.90
Rot. Bonds5

About methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate

methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate (PubChem CID 154877020) has the molecular formula C18H16F3NO3S and a molecular weight of 383.39 g/mol. Its IUPAC name is methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate
PubChem CID154877020
Molecular FormulaC18H16F3NO3S
Molecular Weight383.39 g/mol
Exact Mass383.08
IUPAC Namemethyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)C(NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C18H16F3NO3S/c1-25-17(24)15(14-6-3-7-26-14)22-16(23)13-9-12(13)10-4-2-5-11(8-10)18(19,20)21/h2-8,12-13,15H,9H2,1H3,(H,22,23)/t12-,13+,15?/m0/s1
InChIKeyFJBNTXNBVLWRKH-IKCIUXDWSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119421188
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119129363
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95620997
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
2-thiophen-2-yl-2-[3-(trifluoromethyl)anilino]acetamide
CID 69003466
N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119566596
(3S,4R)-1-(3-methoxybenzoyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149034

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate?
The IUPAC name of methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate (CID 154877020) is methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate?
The canonical SMILES for methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate is COC(=O)C(NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate?
The InChIKey is FJBNTXNBVLWRKH-IKCIUXDWSA-N. The full InChI is InChI=1S/C18H16F3NO3S/c1-25-17(24)15(14-6-3-7-26-14)22-16(23)13-9-12(13)10-4-2-5-11(8-10)18(19,20)21/h2-8,12-13,15H,9H2,1H3,(H,22,23)/t12-,13+,15?/m0/s1.
What are the key properties of methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate?
methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate has a molecular weight of 383.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate is sourced from PubChem (CID 154877020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).