N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide

C21H23N3O5S — CID 20950144

IUPACN-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide
SMILESCCCNc1c(NS(=O)(=O)c2ccc(NC(=O)CC)cc2)c(=O)oc2ccccc12
InChIInChI=1S/C21H23N3O5S/c1-3-13-22-19-16-7-5-6-8-17(16)29-21(26)20(19)24-30(27,28)15-11-9-14(10-12-15)23-18(25)4-2/h5-12,22,24H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyXMYGNKHLPJAZHW-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.76
Rot. Bonds8

About N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide

N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide (PubChem CID 20950144) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide
PubChem CID20950144
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide
SMILESCCCNc1c(NS(=O)(=O)c2ccc(NC(=O)CC)cc2)c(=O)oc2ccccc12
InChIInChI=1S/C21H23N3O5S/c1-3-13-22-19-16-7-5-6-8-17(16)29-21(26)20(19)24-30(27,28)15-11-9-14(10-12-15)23-18(25)4-2/h5-12,22,24H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyXMYGNKHLPJAZHW-UHFFFAOYSA-N
XLogP3.76
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide (CID 20950144) is N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide is CCCNc1c(NS(=O)(=O)c2ccc(NC(=O)CC)cc2)c(=O)oc2ccccc12.
What is the InChIKey of N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide?
The InChIKey is XMYGNKHLPJAZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-3-13-22-19-16-7-5-6-8-17(16)29-21(26)20(19)24-30(27,28)15-11-9-14(10-12-15)23-18(25)4-2/h5-12,22,24H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide?
N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide has a molecular weight of 429.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-4-(propylamino)chromen-3-yl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 20950144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).