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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Related Compounds

2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxamide
CID 917163
3-Carboxamido coumarin, 21
CID 42618005
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
(7-acetamido-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 2484383
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4092887
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-(4-ethoxyphenyl)propanoate
CID 3243338
N-(2-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585910
N-(2-ethoxyphenyl)-2-oxo-1,2-dihydroquinoline-6-sulfonamide
CID 22548568
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
2-methoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1085591
(2E)-3-(4-methoxyphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1108165

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).