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

C13H10F2N2O2S2 — CID 977704

IUPACN-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C13H10F2N2O2S2/c14-12(15)19-9-5-2-1-4-8(9)16-13(20)17-11(18)10-6-3-7-21-10/h1-7,12H,(H2,16,17,18,20)
InChIKeyMNIARRNOUGEJLD-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.48
Rot. Bonds4

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

N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 977704) has the molecular formula C13H10F2N2O2S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID977704
Molecular FormulaC13H10F2N2O2S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC NameN-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C13H10F2N2O2S2/c14-12(15)19-9-5-2-1-4-8(9)16-13(20)17-11(18)10-6-3-7-21-10/h1-7,12H,(H2,16,17,18,20)
InChIKeyMNIARRNOUGEJLD-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 977704) is N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccccc1OC(F)F)c1cccs1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is MNIARRNOUGEJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S2/c14-12(15)19-9-5-2-1-4-8(9)16-13(20)17-11(18)10-6-3-7-21-10/h1-7,12H,(H2,16,17,18,20).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 977704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).