3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide

C19H17N3O2S — CID 55834610

IUPAC3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H17N3O2S/c23-18(11-14-25-17-5-2-1-3-6-17)22-15-7-9-16(10-8-15)24-19-20-12-4-13-21-19/h1-10,12-13H,11,14H2,(H,22,23)
InChIKeyMKABKGFIUIQKHB-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.39
Rot. Bonds7

About 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide

3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide (PubChem CID 55834610) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
PubChem CID55834610
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H17N3O2S/c23-18(11-14-25-17-5-2-1-3-6-17)22-15-7-9-16(10-8-15)24-19-20-12-4-13-21-19/h1-10,12-13H,11,14H2,(H,22,23)
InChIKeyMKABKGFIUIQKHB-UHFFFAOYSA-N
XLogP4.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)butanamide
CID 60549417
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 25276318
2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834993
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611
N-[4-(cyanomethyl)phenyl]-3-phenylsulfanylpropanamide
CID 1279971
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921125
N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide
CID 71940361

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide (CID 55834610) is 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide is O=C(CCSc1ccccc1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
The InChIKey is MKABKGFIUIQKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(11-14-25-17-5-2-1-3-6-17)22-15-7-9-16(10-8-15)24-19-20-12-4-13-21-19/h1-10,12-13H,11,14H2,(H,22,23).
What are the key properties of 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide has a molecular weight of 351.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide is sourced from PubChem (CID 55834610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).