2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C28H25ClN2O8S — CID 21000552

IUPAC2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C28H25ClN2O8S/c1-36-21-7-2-18(3-8-21)27-28(26(33)23-16-19(29)4-11-24(23)39-27)38-17-25(32)30-20-5-9-22(10-6-20)40(34,35)31-12-14-37-15-13-31/h2-11,16H,12-15,17H2,1H3,(H,30,32)
InChIKeyOOAVHYDGMPQOMY-UHFFFAOYSA-N
MW585.03 g/mol
LogP4.16
Rot. Bonds8

About 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 21000552) has the molecular formula C28H25ClN2O8S and a molecular weight of 585.03 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID21000552
Molecular FormulaC28H25ClN2O8S
Molecular Weight585.03 g/mol
Exact Mass584.10
IUPAC Name2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C28H25ClN2O8S/c1-36-21-7-2-18(3-8-21)27-28(26(33)23-16-19(29)4-11-24(23)39-27)38-17-25(32)30-20-5-9-22(10-6-20)40(34,35)31-12-14-37-15-13-31/h2-11,16H,12-15,17H2,1H3,(H,30,32)
InChIKeyOOAVHYDGMPQOMY-UHFFFAOYSA-N
XLogP4.16
TPSA124.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.03
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 21000551
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999810
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 20999908
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide
CID 21000537
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 30147094

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 21000552) is 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is OOAVHYDGMPQOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O8S/c1-36-21-7-2-18(3-8-21)27-28(26(33)23-16-19(29)4-11-24(23)39-27)38-17-25(32)30-20-5-9-22(10-6-20)40(34,35)31-12-14-37-15-13-31/h2-11,16H,12-15,17H2,1H3,(H,30,32).
What are the key properties of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 585.03 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 21000552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).