N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide

C21H18F2N4O2S — CID 25341790

IUPACN-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide
SMILESCN(C)c1nc2cc(C(=O)Nc3ccccc3OC(F)F)sc2n1-c1ccccc1
InChIInChI=1S/C21H18F2N4O2S/c1-26(2)21-25-15-12-17(30-19(15)27(21)13-8-4-3-5-9-13)18(28)24-14-10-6-7-11-16(14)29-20(22)23/h3-12,20H,1-2H3,(H,24,28)
InChIKeyOXOIRBNVUFEYHG-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.01
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide

N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide (PubChem CID 25341790) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide
PubChem CID25341790
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide
SMILESCN(C)c1nc2cc(C(=O)Nc3ccccc3OC(F)F)sc2n1-c1ccccc1
InChIInChI=1S/C21H18F2N4O2S/c1-26(2)21-25-15-12-17(30-19(15)27(21)13-8-4-3-5-9-13)18(28)24-14-10-6-7-11-16(14)29-20(22)23/h3-12,20H,1-2H3,(H,24,28)
InChIKeyOXOIRBNVUFEYHG-UHFFFAOYSA-N
XLogP5.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide (CID 25341790) is N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide is CN(C)c1nc2cc(C(=O)Nc3ccccc3OC(F)F)sc2n1-c1ccccc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is OXOIRBNVUFEYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c1-26(2)21-25-15-12-17(30-19(15)27(21)13-8-4-3-5-9-13)18(28)24-14-10-6-7-11-16(14)29-20(22)23/h3-12,20H,1-2H3,(H,24,28).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 25341790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).