N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

C12H9F2NO2S — CID 720221

IUPACN-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C12H9F2NO2S/c13-12(14)17-9-5-3-8(4-6-9)15-11(16)10-2-1-7-18-10/h1-7,12H,(H,15,16)
InChIKeyOUGXBKAKYZRVDP-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.60
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 720221) has the molecular formula C12H9F2NO2S and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID720221
Molecular FormulaC12H9F2NO2S
Molecular Weight269.27 g/mol
Exact Mass269.03
IUPAC NameN-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C12H9F2NO2S/c13-12(14)17-9-5-3-8(4-6-9)15-11(16)10-2-1-7-18-10/h1-7,12H,(H,15,16)
InChIKeyOUGXBKAKYZRVDP-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (CID 720221) is N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1cccs1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is OUGXBKAKYZRVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2S/c13-12(14)17-9-5-3-8(4-6-9)15-11(16)10-2-1-7-18-10/h1-7,12H,(H,15,16).
What are the key properties of N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 720221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).