1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea

C18H16N2O5S — CID 46175228

IUPAC1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea
SMILESCc1cc2ccc(=O)oc2cc1S(=O)(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H16N2O5S/c1-12-9-14-7-8-17(21)25-15(14)10-16(12)26(23,24)20-18(22)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,20,22)
InChIKeyOWTKCYBXOKVLNJ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.29
Rot. Bonds4

About 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea

1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea (PubChem CID 46175228) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea.

Molecular Properties

Compound Name1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea
PubChem CID46175228
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea
SMILESCc1cc2ccc(=O)oc2cc1S(=O)(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H16N2O5S/c1-12-9-14-7-8-17(21)25-15(14)10-16(12)26(23,24)20-18(22)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,20,22)
InChIKeyOWTKCYBXOKVLNJ-UHFFFAOYSA-N
XLogP2.29
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.29
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

1-benzyl-3-(2-methoxy-6-methyl-1-oxobenzo[b][1,6]naphthyridin-4-yl)sulfonylurea
CID 11503363
1-(2-methylphenyl)sulfonyl-3-[(4-methylsulfanylphenyl)methyl]urea
CID 25042936
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
[(6-methyl-2-oxochromen-7-yl)-diphenyl-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87537653
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
CID 51370904
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
1-butyl-3-naphthalen-1-ylsulfonylurea
CID 125482961
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233897

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea?
The IUPAC name of 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea (CID 46175228) is 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea.
What is the SMILES notation for 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea?
The canonical SMILES for 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea is Cc1cc2ccc(=O)oc2cc1S(=O)(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea?
The InChIKey is OWTKCYBXOKVLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-12-9-14-7-8-17(21)25-15(14)10-16(12)26(23,24)20-18(22)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,20,22).
What are the key properties of 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea?
1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea has a molecular weight of 372.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea is sourced from PubChem (CID 46175228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).