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

C12H9F2NO2S2 — CID 107022248

IUPACN-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(S)cs1
InChIInChI=1S/C12H9F2NO2S2/c13-12(14)17-9-4-2-1-3-8(9)15-11(16)10-5-7(18)6-19-10/h1-6,12,18H,(H,15,16)
InChIKeyGGBMPMFGGBDRLG-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.89
Rot. Bonds4

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

N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022248) has the molecular formula C12H9F2NO2S2 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107022248
Molecular FormulaC12H9F2NO2S2
Molecular Weight301.34 g/mol
Exact Mass301.00
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(S)cs1
InChIInChI=1S/C12H9F2NO2S2/c13-12(14)17-9-4-2-1-3-8(9)15-11(16)10-5-7(18)6-19-10/h1-6,12,18H,(H,15,16)
InChIKeyGGBMPMFGGBDRLG-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 43414513
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498820
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495087
N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107022105
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490937
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107032493

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide (CID 107022248) is N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide is O=C(Nc1ccccc1OC(F)F)c1cc(S)cs1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is GGBMPMFGGBDRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2S2/c13-12(14)17-9-4-2-1-3-8(9)15-11(16)10-5-7(18)6-19-10/h1-6,12,18H,(H,15,16).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide?
N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 3.89, 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]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).