N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide

C21H19NO2S — CID 86937525

IUPACN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCc3c(O)cccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-13-5-7-14(8-6-13)15-11-12-25-20(15)21(24)22-18-10-9-17-16(18)3-2-4-19(17)23/h2-8,11-12,18,23H,9-10H2,1H3,(H,22,24)
InChIKeyYOTVFLZBCBDULC-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.85
Rot. Bonds3

About N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 86937525) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID86937525
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCc3c(O)cccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-13-5-7-14(8-6-13)15-11-12-25-20(15)21(24)22-18-10-9-17-16(18)3-2-4-19(17)23/h2-8,11-12,18,23H,9-10H2,1H3,(H,22,24)
InChIKeyYOTVFLZBCBDULC-UHFFFAOYSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9193206
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517025
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517026
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735684
N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 97235885
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95626542
N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027524
1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43637090
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 86937525) is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NC2CCc3c(O)cccc32)cc1.
What is the InChIKey of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is YOTVFLZBCBDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-13-5-7-14(8-6-13)15-11-12-25-20(15)21(24)22-18-10-9-17-16(18)3-2-4-19(17)23/h2-8,11-12,18,23H,9-10H2,1H3,(H,22,24).
What are the key properties of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 86937525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).