(2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C19H26F3N3O4S — CID 155838858

IUPAC(2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3sccc3C)C[C@@H]2N1C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2S.C2HF3O2/c1-10(2)20-13(16(21)18-4)7-12-8-19(9-14(12)20)17(22)15-11(3)5-6-23-15;3-2(4,5)1(6)7/h5-6,10,12-14H,7-9H2,1-4H3,(H,18,21);(H,6,7)/t12-,13-,14+;/m1./s1
InChIKeyHIFVJKXZMUESLW-NNNATCHMSA-N
MW449.50 g/mol
LogP2.36
Rot. Bonds3

About (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

(2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155838858) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155838858
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC Name(2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3sccc3C)C[C@@H]2N1C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2S.C2HF3O2/c1-10(2)20-13(16(21)18-4)7-12-8-19(9-14(12)20)17(22)15-11(3)5-6-23-15;3-2(4,5)1(6)7/h5-6,10,12-14H,7-9H2,1-4H3,(H,18,21);(H,6,7)/t12-,13-,14+;/m1./s1
InChIKeyHIFVJKXZMUESLW-NNNATCHMSA-N
XLogP2.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155838858) is (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3sccc3C)C[C@@H]2N1C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HIFVJKXZMUESLW-NNNATCHMSA-N. The full InChI is InChI=1S/C17H25N3O2S.C2HF3O2/c1-10(2)20-13(16(21)18-4)7-12-8-19(9-14(12)20)17(22)15-11(3)5-6-23-15;3-2(4,5)1(6)7/h5-6,10,12-14H,7-9H2,1-4H3,(H,18,21);(H,6,7)/t12-,13-,14+;/m1./s1.
What are the key properties of (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-methyl-5-(3-methylthiophene-2-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).