N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide

C22H20N2O3S — CID 42945211

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)NC1CCSc2ccccc21
InChIInChI=1S/C22H20N2O3S/c25-21(24-19-12-14-28-20-6-2-1-5-18(19)20)15-26-16-8-10-17(11-9-16)27-22-7-3-4-13-23-22/h1-11,13,19H,12,14-15H2,(H,24,25)
InChIKeyAAGDZLUKQZXJOH-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.61
Rot. Bonds6

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 42945211) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
PubChem CID42945211
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)NC1CCSc2ccccc21
InChIInChI=1S/C22H20N2O3S/c25-21(24-19-12-14-28-20-6-2-1-5-18(19)20)15-26-16-8-10-17(11-9-16)27-22-7-3-4-13-23-22/h1-11,13,19H,12,14-15H2,(H,24,25)
InChIKeyAAGDZLUKQZXJOH-UHFFFAOYSA-N
XLogP4.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 7678588
N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112817297
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide
CID 18193172
2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 97016809
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
N-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9120308
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 16572678
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 51247378
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75370235
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 51935223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide (CID 42945211) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide is O=C(COc1ccc(Oc2ccccn2)cc1)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is AAGDZLUKQZXJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-21(24-19-12-14-28-20-6-2-1-5-18(19)20)15-26-16-8-10-17(11-9-16)27-22-7-3-4-13-23-22/h1-11,13,19H,12,14-15H2,(H,24,25).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 392.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 42945211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).