3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide

C19H20N4O5S — CID 166189122

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C19H20N4O5S/c1-2-29(27,28)22-14-9-7-13(8-10-14)20-17(24)11-12-23-16-6-4-3-5-15(16)18(25)21-19(23)26/h3-10,22H,2,11-12H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyNYSBYBRVKGSNFI-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.48
Rot. Bonds7

About 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide (PubChem CID 166189122) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
PubChem CID166189122
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C19H20N4O5S/c1-2-29(27,28)22-14-9-7-13(8-10-14)20-17(24)11-12-23-16-6-4-3-5-15(16)18(25)21-19(23)26/h3-10,22H,2,11-12H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyNYSBYBRVKGSNFI-UHFFFAOYSA-N
XLogP1.48
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide (CID 166189122) is 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The InChIKey is NYSBYBRVKGSNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-2-29(27,28)22-14-9-7-13(8-10-14)20-17(24)11-12-23-16-6-4-3-5-15(16)18(25)21-19(23)26/h3-10,22H,2,11-12H2,1H3,(H,20,24)(H,21,25,26).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide has a molecular weight of 416.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 166189122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).