(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C23H20N4O6S — CID 1178043

IUPAC(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc12
InChIInChI=1S/C23H20N4O6S/c1-14-12-21(28)33-20-13-17(6-9-19(14)20)32-15(2)22(29)26-16-4-7-18(8-5-16)34(30,31)27-23-24-10-3-11-25-23/h3-13,15H,1-2H3,(H,26,29)(H,24,25,27)/t15-/m0/s1
InChIKeyFUGOVEHJISQMOF-HNNXBMFYSA-N
MW480.50 g/mol
LogP3.10
Rot. Bonds7

About (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1178043) has the molecular formula C23H20N4O6S and a molecular weight of 480.50 g/mol. Its IUPAC name is (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1178043
Molecular FormulaC23H20N4O6S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC Name(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc12
InChIInChI=1S/C23H20N4O6S/c1-14-12-21(28)33-20-13-17(6-9-19(14)20)32-15(2)22(29)26-16-4-7-18(8-5-16)34(30,31)27-23-24-10-3-11-25-23/h3-13,15H,1-2H3,(H,26,29)(H,24,25,27)/t15-/m0/s1
InChIKeyFUGOVEHJISQMOF-HNNXBMFYSA-N
XLogP3.10
TPSA140.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19191797
(2R)-2-(3,5-dimethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1305241
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2938093
2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 1178043) is (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc12.
What is the InChIKey of (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is FUGOVEHJISQMOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20N4O6S/c1-14-12-21(28)33-20-13-17(6-9-19(14)20)32-15(2)22(29)26-16-4-7-18(8-5-16)34(30,31)27-23-24-10-3-11-25-23/h3-13,15H,1-2H3,(H,26,29)(H,24,25,27)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 480.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1178043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).