N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide

C23H26N2O5S — CID 78870362

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H26N2O5S/c1-3-21-20(19-6-4-5-7-22(19)30-21)16-24(2)31(27,28)18-10-8-17(9-11-18)23(26)25-12-14-29-15-13-25/h4-11H,3,12-16H2,1-2H3
InChIKeyYGJHRNZMJVYLEQ-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.29
Rot. Bonds6

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 78870362) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID78870362
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H26N2O5S/c1-3-21-20(19-6-4-5-7-22(19)30-21)16-24(2)31(27,28)18-10-8-17(9-11-18)23(26)25-12-14-29-15-13-25/h4-11H,3,12-16H2,1-2H3
InChIKeyYGJHRNZMJVYLEQ-UHFFFAOYSA-N
XLogP3.29
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 78870362) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide is CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is YGJHRNZMJVYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-3-21-20(19-6-4-5-7-22(19)30-21)16-24(2)31(27,28)18-10-8-17(9-11-18)23(26)25-12-14-29-15-13-25/h4-11H,3,12-16H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 78870362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).