N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide

C15H12F5N3O2S — CID 11741274

IUPACN-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C15H12F5N3O2S/c16-14(17,15(18,19)20)13(25)22-7-8-5-6-11(26-8)12(24)23-10-4-2-1-3-9(10)21/h1-6H,7,21H2,(H,22,25)(H,23,24)
InChIKeyQQPHRFSEWXMVMZ-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.40
Rot. Bonds5

About N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide (PubChem CID 11741274) has the molecular formula C15H12F5N3O2S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide
PubChem CID11741274
Molecular FormulaC15H12F5N3O2S
Molecular Weight393.34 g/mol
Exact Mass393.06
IUPAC NameN-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C15H12F5N3O2S/c16-14(17,15(18,19)20)13(25)22-7-8-5-6-11(26-8)12(24)23-10-4-2-1-3-9(10)21/h1-6H,7,21H2,(H,22,25)(H,23,24)
InChIKeyQQPHRFSEWXMVMZ-UHFFFAOYSA-N
XLogP3.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide (CID 11741274) is N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)F)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide?
The InChIKey is QQPHRFSEWXMVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N3O2S/c16-14(17,15(18,19)20)13(25)22-7-8-5-6-11(26-8)12(24)23-10-4-2-1-3-9(10)21/h1-6H,7,21H2,(H,22,25)(H,23,24).
What are the key properties of N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11741274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).