2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide

C21H22N2O5S — CID 18121330

IUPAC2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H22N2O5S/c1-14(2)23-29(26,27)13-17-9-4-3-8-16(17)12-22-20(24)18-11-15-7-5-6-10-19(15)28-21(18)25/h3-11,14,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyZLOQYLDHSDMWKG-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.55
Rot. Bonds7

About 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide

2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide (PubChem CID 18121330) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
PubChem CID18121330
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H22N2O5S/c1-14(2)23-29(26,27)13-17-9-4-3-8-16(17)12-22-20(24)18-11-15-7-5-6-10-19(15)28-21(18)25/h3-11,14,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyZLOQYLDHSDMWKG-UHFFFAOYSA-N
XLogP2.55
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide
CID 55574430
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide (CID 18121330) is 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide?
The InChIKey is ZLOQYLDHSDMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-14(2)23-29(26,27)13-17-9-4-3-8-16(17)12-22-20(24)18-11-15-7-5-6-10-19(15)28-21(18)25/h3-11,14,23H,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide?
2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 18121330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).