N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide

C18H20N2O2S — CID 75377887

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C18H20N2O2S/c1-13(23-17-8-4-5-9-19-17)18(21)20-11-14-10-15-6-2-3-7-16(15)22-12-14/h2-9,13-14H,10-12H2,1H3,(H,20,21)
InChIKeyLYYBZVJFRIVIPP-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.93
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 75377887) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID75377887
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C18H20N2O2S/c1-13(23-17-8-4-5-9-19-17)18(21)20-11-14-10-15-6-2-3-7-16(15)22-12-14/h2-9,13-14H,10-12H2,1H3,(H,20,21)
InChIKeyLYYBZVJFRIVIPP-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 74237200
N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 111977244
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide (CID 75377887) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is LYYBZVJFRIVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(23-17-8-4-5-9-19-17)18(21)20-11-14-10-15-6-2-3-7-16(15)22-12-14/h2-9,13-14H,10-12H2,1H3,(H,20,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 328.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 75377887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).