N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H19F2NO2S — CID 24595779

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)NCCc1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C19H19F2NO2S/c1-12-2-5-14-11-17(25-16(14)10-12)18(23)22-9-8-13-3-6-15(7-4-13)24-19(20)21/h2-7,10,17,19H,8-9,11H2,1H3,(H,22,23)
InChIKeyPDSHHKMHKTVLHK-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.97
Rot. Bonds6

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24595779) has the molecular formula C19H19F2NO2S and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24595779
Molecular FormulaC19H19F2NO2S
Molecular Weight363.43 g/mol
Exact Mass363.11
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)NCCc1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C19H19F2NO2S/c1-12-2-5-14-11-17(25-16(14)10-12)18(23)22-9-8-13-3-6-15(7-4-13)24-19(20)21/h2-7,10,17,19H,8-9,11H2,1H3,(H,22,23)
InChIKeyPDSHHKMHKTVLHK-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55385209
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
6-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24633461
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18116815
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51241320
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
CID 60525094
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911233
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844555
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24595779) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc2c(c1)SC(C(=O)NCCc1ccc(OC(F)F)cc1)C2.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is PDSHHKMHKTVLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2S/c1-12-2-5-14-11-17(25-16(14)10-12)18(23)22-9-8-13-3-6-15(7-4-13)24-19(20)21/h2-7,10,17,19H,8-9,11H2,1H3,(H,22,23).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24595779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).