N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C19H16FNOS — CID 24535401

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCc3ccccc32)sc2cccc(F)c12
InChIInChI=1S/C19H16FNOS/c1-11-17-14(20)7-4-8-16(17)23-18(11)19(22)21-15-10-9-12-5-2-3-6-13(12)15/h2-8,15H,9-10H2,1H3,(H,21,22)
InChIKeyKBAXTMGKGYOQEX-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.77
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 24535401) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID24535401
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCc3ccccc32)sc2cccc(F)c12
InChIInChI=1S/C19H16FNOS/c1-11-17-14(20)7-4-8-16(17)23-18(11)19(22)21-15-10-9-12-5-2-3-6-13(12)15/h2-8,15H,9-10H2,1H3,(H,21,22)
InChIKeyKBAXTMGKGYOQEX-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8819787
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 62490061
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 87544536
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 132971331
4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 24539845
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 24535401) is N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC2CCc3ccccc32)sc2cccc(F)c12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is KBAXTMGKGYOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c1-11-17-14(20)7-4-8-16(17)23-18(11)19(22)21-15-10-9-12-5-2-3-6-13(12)15/h2-8,15H,9-10H2,1H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24535401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).