N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide

C19H19FN2OS — CID 32692271

IUPACN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H19FN2OS/c1-22(2)17(13-6-5-7-14(20)10-13)11-21-19(23)16-12-24-18-9-4-3-8-15(16)18/h3-10,12,17H,11H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyIIBKPKGHEYKCMF-KRWDZBQOSA-N
MW342.44 g/mol
LogP4.07
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide (PubChem CID 32692271) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
PubChem CID32692271
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H19FN2OS/c1-22(2)17(13-6-5-7-14(20)10-13)11-21-19(23)16-12-24-18-9-4-3-8-15(16)18/h3-10,12,17H,11H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyIIBKPKGHEYKCMF-KRWDZBQOSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 37093996
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 42907156

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide (CID 32692271) is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide is CN(C)[C@@H](CNC(=O)c1csc2ccccc12)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is IIBKPKGHEYKCMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-22(2)17(13-6-5-7-14(20)10-13)11-21-19(23)16-12-24-18-9-4-3-8-15(16)18/h3-10,12,17H,11H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 32692271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).