2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide

C19H23FN2O2S — CID 102557321

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
SMILESCN(C)Cc1cc(CNC(=O)CC2OCCc3ccsc32)ccc1F
InChIInChI=1S/C19H23FN2O2S/c1-22(2)12-15-9-13(3-4-16(15)20)11-21-18(23)10-17-19-14(5-7-24-17)6-8-25-19/h3-4,6,8-9,17H,5,7,10-12H2,1-2H3,(H,21,23)
InChIKeyWQGRTCJPJKNSFE-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.27
Rot. Bonds6

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide (PubChem CID 102557321) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
PubChem CID102557321
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
SMILESCN(C)Cc1cc(CNC(=O)CC2OCCc3ccsc32)ccc1F
InChIInChI=1S/C19H23FN2O2S/c1-22(2)12-15-9-13(3-4-16(15)20)11-21-18(23)10-17-19-14(5-7-24-17)6-8-25-19/h3-4,6,8-9,17H,5,7,10-12H2,1-2H3,(H,21,23)
InChIKeyWQGRTCJPJKNSFE-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 102556346
2-(4-aminophenyl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 119886328
N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556409
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
CID 119886373
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetamide
CID 95174145
tert-butyl N-[2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methylpropyl]carbamate
CID 102556388
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
CID 111412022
1-(azepan-1-yl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanone
CID 71933570
[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid
CID 146099067
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556412

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide (CID 102557321) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide is CN(C)Cc1cc(CNC(=O)CC2OCCc3ccsc32)ccc1F.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide?
The InChIKey is WQGRTCJPJKNSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-22(2)12-15-9-13(3-4-16(15)20)11-21-18(23)10-17-19-14(5-7-24-17)6-8-25-19/h3-4,6,8-9,17H,5,7,10-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 102557321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).