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

C22H20N2O2S — CID 51129710

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
SMILESO=C(NCC1COc2ccccc2C1)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C22H20N2O2S/c25-22(24-14-16-13-18-5-1-2-6-20(18)26-15-16)17-8-10-19(11-9-17)27-21-7-3-4-12-23-21/h1-12,16H,13-15H2,(H,24,25)
InChIKeySGHWRPWBQDAQQZ-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.21
Rot. Bonds5

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

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide (PubChem CID 51129710) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
PubChem CID51129710
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
SMILESO=C(NCC1COc2ccccc2C1)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C22H20N2O2S/c25-22(24-14-16-13-18-5-1-2-6-20(18)26-15-16)17-8-10-19(11-9-17)27-21-7-3-4-12-23-21/h1-12,16H,13-15H2,(H,24,25)
InChIKeySGHWRPWBQDAQQZ-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide
CID 75377887
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 72933785
4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 51212101
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94232204
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726
N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51101128

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide (CID 51129710) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide is O=C(NCC1COc2ccccc2C1)c1ccc(Sc2ccccn2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
The InChIKey is SGHWRPWBQDAQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-22(24-14-16-13-18-5-1-2-6-20(18)26-15-16)17-8-10-19(11-9-17)27-21-7-3-4-12-23-21/h1-12,16H,13-15H2,(H,24,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 4.21, 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)-4-pyridin-2-ylsulfanylbenzamide is sourced from PubChem (CID 51129710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).