4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

C23H24N2O6S — CID 646426

IUPAC4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O6S/c1-16-3-9-20(31-16)17-4-7-19(8-5-17)24-23(26)18-6-10-21(29-2)22(15-18)32(27,28)25-11-13-30-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,24,26)
InChIKeyLBPCDLCIQRHHJQ-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.54
Rot. Bonds6

About 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 646426) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID646426
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O6S/c1-16-3-9-20(31-16)17-4-7-19(8-5-17)24-23(26)18-6-10-21(29-2)22(15-18)32(27,28)25-11-13-30-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,24,26)
InChIKeyLBPCDLCIQRHHJQ-UHFFFAOYSA-N
XLogP3.54
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 646426) is 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LBPCDLCIQRHHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-16-3-9-20(31-16)17-4-7-19(8-5-17)24-23(26)18-6-10-21(29-2)22(15-18)32(27,28)25-11-13-30-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,24,26).
What are the key properties of 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 456.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(5-methylfuran-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 646426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).