N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H13F2NO2S — CID 51310218

IUPACN-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)C1Cc2ccccc2S1
InChIInChI=1S/C16H13F2NO2S/c17-16(18)21-12-7-3-2-6-11(12)19-15(20)14-9-10-5-1-4-8-13(10)22-14/h1-8,14,16H,9H2,(H,19,20)
InChIKeyJKKFGCXTLHTEGL-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.94
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51310218) has the molecular formula C16H13F2NO2S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51310218
Molecular FormulaC16H13F2NO2S
Molecular Weight321.35 g/mol
Exact Mass321.06
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)C1Cc2ccccc2S1
InChIInChI=1S/C16H13F2NO2S/c17-16(18)21-12-7-3-2-6-11(12)19-15(20)14-9-10-5-1-4-8-13(10)22-14/h1-8,14,16H,9H2,(H,19,20)
InChIKeyJKKFGCXTLHTEGL-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79207464
N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42886816
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723306
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24596987
5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 43414513
4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
CID 79210360
(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 34188852
N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103909801
N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42938008

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51310218) is N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1OC(F)F)C1Cc2ccccc2S1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is JKKFGCXTLHTEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2S/c17-16(18)21-12-7-3-2-6-11(12)19-15(20)14-9-10-5-1-4-8-13(10)22-14/h1-8,14,16H,9H2,(H,19,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51310218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).