N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C21H17NO2S — CID 46171578

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C21H17NO2S/c23-21(22-17-10-9-13-5-1-2-6-15(13)17)19-11-14-12-24-18-8-4-3-7-16(18)20(14)25-19/h1-8,11,17H,9-10,12H2,(H,22,23)
InChIKeyAKDKJJDMOWTCFY-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.72
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 46171578) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID46171578
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C21H17NO2S/c23-21(22-17-10-9-13-5-1-2-6-15(13)17)19-11-14-12-24-18-8-4-3-7-16(18)20(14)25-19/h1-8,11,17H,9-10,12H2,(H,22,23)
InChIKeyAKDKJJDMOWTCFY-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 129422145
9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253140
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 26120032
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
CID 120947984
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55951082
[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621467
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 46171578) is N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(NC1CCc2ccccc21)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is AKDKJJDMOWTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c23-21(22-17-10-9-13-5-1-2-6-15(13)17)19-11-14-12-24-18-8-4-3-7-16(18)20(14)25-19/h1-8,11,17H,9-10,12H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 46171578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).