2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C22H19N3O6S2 — CID 19191797

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc12
InChIInChI=1S/C22H19N3O6S2/c1-13-11-20(26)31-19-12-16(5-8-18(13)19)30-14(2)21(27)24-15-3-6-17(7-4-15)33(28,29)25-22-23-9-10-32-22/h3-12,14H,1-2H3,(H,23,25)(H,24,27)
InChIKeyQQSJDZXTSZNFLB-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.76
Rot. Bonds7

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 19191797) has the molecular formula C22H19N3O6S2 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID19191797
Molecular FormulaC22H19N3O6S2
Molecular Weight485.54 g/mol
Exact Mass485.07
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc12
InChIInChI=1S/C22H19N3O6S2/c1-13-11-20(26)31-19-12-16(5-8-18(13)19)30-14(2)21(27)24-15-3-6-17(7-4-15)33(28,29)25-22-23-9-10-32-22/h3-12,14H,1-2H3,(H,23,25)(H,24,27)
InChIKeyQQSJDZXTSZNFLB-UHFFFAOYSA-N
XLogP3.76
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1178043
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266898
2-(4-nitrophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 4951265
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
(2S)-2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 42561538
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
CID 158590550
2-(2-tert-butylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 19191797) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is QQSJDZXTSZNFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6S2/c1-13-11-20(26)31-19-12-16(5-8-18(13)19)30-14(2)21(27)24-15-3-6-17(7-4-15)33(28,29)25-22-23-9-10-32-22/h3-12,14H,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 485.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 19191797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).