2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide

C20H16ClFN2OS — CID 71658201

IUPAC2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide
SMILESNc1sc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C20H16ClFN2OS/c21-13-5-1-11(2-6-13)16-17(20(25)24-15-9-10-15)19(23)26-18(16)12-3-7-14(22)8-4-12/h1-8,15H,9-10,23H2,(H,24,25)
InChIKeyBZWYSWJFWUMULY-UHFFFAOYSA-N
MW386.88 g/mol
LogP5.35
Rot. Bonds4

About 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide

2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide (PubChem CID 71658201) has the molecular formula C20H16ClFN2OS and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide
PubChem CID71658201
Molecular FormulaC20H16ClFN2OS
Molecular Weight386.88 g/mol
Exact Mass386.07
IUPAC Name2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide
SMILESNc1sc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C20H16ClFN2OS/c21-13-5-1-11(2-6-13)16-17(20(25)24-15-9-10-15)19(23)26-18(16)12-3-7-14(22)8-4-12/h1-8,15H,9-10,23H2,(H,24,25)
InChIKeyBZWYSWJFWUMULY-UHFFFAOYSA-N
XLogP5.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide (CID 71658201) is 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide is Nc1sc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide?
The InChIKey is BZWYSWJFWUMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2OS/c21-13-5-1-11(2-6-13)16-17(20(25)24-15-9-10-15)19(23)26-18(16)12-3-7-14(22)8-4-12/h1-8,15H,9-10,23H2,(H,24,25).
What are the key properties of 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide?
2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 71658201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).