N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide

C18H15F2NO2S — CID 112837108

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1csc2ccccc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2NO2S/c19-18(20)23-14-7-5-12(6-8-14)17(22)21-10-9-13-11-24-16-4-2-1-3-15(13)16/h1-8,11,18H,9-10H2,(H,21,22)
InChIKeyRWVQVZYNGPEMML-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.48
Rot. Bonds6

About N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide

N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide (PubChem CID 112837108) has the molecular formula C18H15F2NO2S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
PubChem CID112837108
Molecular FormulaC18H15F2NO2S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1csc2ccccc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2NO2S/c19-18(20)23-14-7-5-12(6-8-14)17(22)21-10-9-13-11-24-16-4-2-1-3-15(13)16/h1-8,11,18H,9-10H2,(H,21,22)
InChIKeyRWVQVZYNGPEMML-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 86885243
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 112837070
methyl 5-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 87020534
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide (CID 112837108) is N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide is O=C(NCCc1csc2ccccc12)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide?
The InChIKey is RWVQVZYNGPEMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2S/c19-18(20)23-14-7-5-12(6-8-14)17(22)21-10-9-13-11-24-16-4-2-1-3-15(13)16/h1-8,11,18H,9-10H2,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide has a molecular weight of 347.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 112837108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).