(2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide

C20H19N3O4S — CID 95776344

IUPAC(2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
SMILESCS(=O)(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H19N3O4S/c1-28(25,26)18(14-15-6-3-2-4-7-15)19(24)23-16-8-10-17(11-9-16)27-20-21-12-5-13-22-20/h2-13,18H,14H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyXLQXHNFFHNIVEF-GOSISDBHSA-N
MW397.46 g/mol
LogP2.86
Rot. Bonds7

About (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide

(2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide (PubChem CID 95776344) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
PubChem CID95776344
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name(2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
SMILESCS(=O)(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H19N3O4S/c1-28(25,26)18(14-15-6-3-2-4-7-15)19(24)23-16-8-10-17(11-9-16)27-20-21-12-5-13-22-20/h2-13,18H,14H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyXLQXHNFFHNIVEF-GOSISDBHSA-N
XLogP2.86
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834993
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
CID 55834610
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921125
(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
CID 52519697
1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044684
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
2-benzyl-N-(4-methoxyphenyl)-3-sulfanylpropanamide
CID 19904478
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
The IUPAC name of (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide (CID 95776344) is (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
The canonical SMILES for (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide is CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
The InChIKey is XLQXHNFFHNIVEF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-28(25,26)18(14-15-6-3-2-4-7-15)19(24)23-16-8-10-17(11-9-16)27-20-21-12-5-13-22-20/h2-13,18H,14H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide?
(2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide has a molecular weight of 397.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonyl-3-phenyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide is sourced from PubChem (CID 95776344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).