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

C21H20N2O2S — CID 19484795

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)c1
InChIInChI=1S/C21H20N2O2S/c1-14-7-8-22-20(9-14)23-21(24)19-10-15(13-26-19)12-25-18-6-5-16-3-2-4-17(16)11-18/h5-11,13H,2-4,12H2,1H3,(H,22,23,24)
InChIKeyGYNYQKIFSBZESO-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.77
Rot. Bonds5

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

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 19484795) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID19484795
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)c1
InChIInChI=1S/C21H20N2O2S/c1-14-7-8-22-20(9-14)23-21(24)19-10-15(13-26-19)12-25-18-6-5-16-3-2-4-17(16)11-18/h5-11,13H,2-4,12H2,1H3,(H,22,23,24)
InChIKeyGYNYQKIFSBZESO-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 19484860
4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19486926
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
methyl 2-[[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19486477
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
methyl 1-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylate
CID 19486614
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19486542
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486544
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 19484795) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1ccnc(NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is GYNYQKIFSBZESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-7-8-22-20(9-14)23-21(24)19-10-15(13-26-19)12-25-18-6-5-16-3-2-4-17(16)11-18/h5-11,13H,2-4,12H2,1H3,(H,22,23,24).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 19484795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).