N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C22H21ClN2O7S — CID 26639783

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)ccc12
InChIInChI=1S/C22H21ClN2O7S/c1-14-10-22(27)32-20-11-15(2-4-17(14)20)31-13-21(26)24-19-12-16(3-5-18(19)23)33(28,29)25-6-8-30-9-7-25/h2-5,10-12H,6-9,13H2,1H3,(H,24,26)
InChIKeyFIYNPTPWUIWPHD-UHFFFAOYSA-N
MW492.94 g/mol
LogP2.79
Rot. Bonds6

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 26639783) has the molecular formula C22H21ClN2O7S and a molecular weight of 492.94 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID26639783
Molecular FormulaC22H21ClN2O7S
Molecular Weight492.94 g/mol
Exact Mass492.08
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)ccc12
InChIInChI=1S/C22H21ClN2O7S/c1-14-10-22(27)32-20-11-15(2-4-17(14)20)31-13-21(26)24-19-12-16(3-5-18(19)23)33(28,29)25-6-8-30-9-7-25/h2-5,10-12H,6-9,13H2,1H3,(H,24,26)
InChIKeyFIYNPTPWUIWPHD-UHFFFAOYSA-N
XLogP2.79
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4673261
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4061850
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504639
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16547871
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(3-fluorophenoxy)acetamide
CID 42989229
N-(4-morpholin-4-ylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 29181189
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 4002541
(4-methyl-2-oxochromen-7-yl) 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2515853
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1079166
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 26639783) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)ccc12.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FIYNPTPWUIWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O7S/c1-14-10-22(27)32-20-11-15(2-4-17(14)20)31-13-21(26)24-19-12-16(3-5-18(19)23)33(28,29)25-6-8-30-9-7-25/h2-5,10-12H,6-9,13H2,1H3,(H,24,26).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 492.94 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 26639783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).