N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H16FNOS — CID 42887934

IUPACN-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccc(C)cc3S2)c(F)c1
InChIInChI=1S/C17H16FNOS/c1-10-4-6-14(13(18)7-10)19-17(20)16-9-12-5-3-11(2)8-15(12)21-16/h3-8,16H,9H2,1-2H3,(H,19,20)
InChIKeyKMVARWIRRCKQCX-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.10
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42887934) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42887934
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC NameN-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccc(C)cc3S2)c(F)c1
InChIInChI=1S/C17H16FNOS/c1-10-4-6-14(13(18)7-10)19-17(20)16-9-12-5-3-11(2)8-15(12)21-16/h3-8,16H,9H2,1-2H3,(H,19,20)
InChIKeyKMVARWIRRCKQCX-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931047
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804658
N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931033
2,2-dimethyl-1-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)propan-1-one
CID 59630751
6-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24633461
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
(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 34188852
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
3-chloro-N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 147464323
(3S)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055305
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592552

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42887934) is N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc(NC(=O)C2Cc3ccc(C)cc3S2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is KMVARWIRRCKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-10-4-6-14(13(18)7-10)19-17(20)16-9-12-5-3-11(2)8-15(12)21-16/h3-8,16H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42887934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).