4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide

C22H20FNO2S — CID 19484860

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)c1
InChIInChI=1S/C22H20FNO2S/c1-14-5-8-19(23)20(9-14)24-22(25)21-10-15(13-27-21)12-26-18-7-6-16-3-2-4-17(16)11-18/h5-11,13H,2-4,12H2,1H3,(H,24,25)
InChIKeyHOMBQJGKQFUKBX-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.52
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide (PubChem CID 19484860) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
PubChem CID19484860
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)c1
InChIInChI=1S/C22H20FNO2S/c1-14-5-8-19(23)20(9-14)24-22(25)21-10-15(13-27-21)12-26-18-7-6-16-3-2-4-17(16)11-18/h5-11,13H,2-4,12H2,1H3,(H,24,25)
InChIKeyHOMBQJGKQFUKBX-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19484795
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
methyl 2-[[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19486477
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19486542
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19484847
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 19486463
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486504
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19486594

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide (CID 19484860) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
The InChIKey is HOMBQJGKQFUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2S/c1-14-5-8-19(23)20(9-14)24-22(25)21-10-15(13-27-21)12-26-18-7-6-16-3-2-4-17(16)11-18/h5-11,13H,2-4,12H2,1H3,(H,24,25).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide has a molecular weight of 381.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19484860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).