2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C19H18N4O4S — CID 3148025

IUPAC2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H18N4O4S/c1-14(27-16-6-3-2-4-7-16)18(24)22-15-8-10-17(11-9-15)28(25,26)23-19-20-12-5-13-21-19/h2-14H,1H3,(H,22,24)(H,20,21,23)
InChIKeyVUZMHNWFFOJGJX-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.68
Rot. Bonds7

About 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 3148025) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID3148025
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H18N4O4S/c1-14(27-16-6-3-2-4-7-16)18(24)22-15-8-10-17(11-9-15)28(25,26)23-19-20-12-5-13-21-19/h2-14H,1H3,(H,22,24)(H,20,21,23)
InChIKeyVUZMHNWFFOJGJX-UHFFFAOYSA-N
XLogP2.68
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466
2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2938093
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516
(2R)-2-(3,5-dimethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1305241
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 53266521
(2R)-2-(4-phenylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 1177983
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 3148025) is 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is VUZMHNWFFOJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-14(27-16-6-3-2-4-7-16)18(24)22-15-8-10-17(11-9-15)28(25,26)23-19-20-12-5-13-21-19/h2-14H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 398.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 3148025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).