5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide

C21H18F3N3O2S — CID 138490331

IUPAC5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3N3O2S/c1-12-16(18(25)30-17(12)20(29)27-15-5-3-2-4-6-15)19(28)26-11-13-7-9-14(10-8-13)21(22,23)24/h2-10H,11,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyOEPYNFSCGCCUJS-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.84
Rot. Bonds5

About 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide

5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide (PubChem CID 138490331) has the molecular formula C21H18F3N3O2S and a molecular weight of 433.46 g/mol. Its IUPAC name is 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide
PubChem CID138490331
Molecular FormulaC21H18F3N3O2S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC Name5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3N3O2S/c1-12-16(18(25)30-17(12)20(29)27-15-5-3-2-4-6-15)19(28)26-11-13-7-9-14(10-8-13)21(22,23)24/h2-10H,11,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyOEPYNFSCGCCUJS-UHFFFAOYSA-N
XLogP4.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide (CID 138490331) is 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide?
The InChIKey is OEPYNFSCGCCUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2S/c1-12-16(18(25)30-17(12)20(29)27-15-5-3-2-4-6-15)19(28)26-11-13-7-9-14(10-8-13)21(22,23)24/h2-10H,11,25H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide?
5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide has a molecular weight of 433.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).