3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one

C24H21NO6S — CID 3515071

IUPAC3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)COc2ccccc21
InChIInChI=1S/C24H21NO6S/c26-24-18(16-30-23-4-2-1-3-21(23)24)15-19-7-10-22(31-19)17-5-8-20(9-6-17)32(27,28)25-11-13-29-14-12-25/h1-10,15H,11-14,16H2
InChIKeyNFSGMJAPTLAXRC-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.63
Rot. Bonds4

About 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one

3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one (PubChem CID 3515071) has the molecular formula C24H21NO6S and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one.

Molecular Properties

Compound Name3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one
PubChem CID3515071
Molecular FormulaC24H21NO6S
Molecular Weight451.50 g/mol
Exact Mass451.11
IUPAC Name3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)COc2ccccc21
InChIInChI=1S/C24H21NO6S/c26-24-18(16-30-23-4-2-1-3-21(23)24)15-19-7-10-22(31-19)17-5-8-20(9-6-17)32(27,28)25-11-13-29-14-12-25/h1-10,15H,11-14,16H2
InChIKeyNFSGMJAPTLAXRC-UHFFFAOYSA-N
XLogP3.63
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 41083953
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
(Z)-4-(1,3-benzothiazol-2-yl)-5-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]pent-4-enoic acid
CID 6145847
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide
CID 2423978
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
(3Z)-3-[(2-nitrophenyl)methylidene]chromen-4-one
CID 2449547
(E)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-2-(4-propylbenzoyl)prop-2-enenitrile
CID 6072416
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 3126408

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one?
The IUPAC name of 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one (CID 3515071) is 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one.
What is the SMILES notation for 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one?
The canonical SMILES for 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one is O=C1C(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)COc2ccccc21.
What is the InChIKey of 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one?
The InChIKey is NFSGMJAPTLAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6S/c26-24-18(16-30-23-4-2-1-3-21(23)24)15-19-7-10-22(31-19)17-5-8-20(9-6-17)32(27,28)25-11-13-29-14-12-25/h1-10,15H,11-14,16H2.
What are the key properties of 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one?
3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one has a molecular weight of 451.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]chromen-4-one is sourced from PubChem (CID 3515071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).