2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide

C22H24N2O5S — CID 86954311

IUPAC2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1oc2ccccc2c1C
InChIInChI=1S/C22H24N2O5S/c1-15-7-8-17(30(26,27)24-9-11-28-12-10-24)13-19(15)22(25)23-14-21-16(2)18-5-3-4-6-20(18)29-21/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyZBNABVPUWSZFMY-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide

2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 86954311) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID86954311
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1oc2ccccc2c1C
InChIInChI=1S/C22H24N2O5S/c1-15-7-8-17(30(26,27)24-9-11-28-12-10-24)13-19(15)22(25)23-14-21-16(2)18-5-3-4-6-20(18)29-21/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyZBNABVPUWSZFMY-UHFFFAOYSA-N
XLogP3.00
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide (CID 86954311) is 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1oc2ccccc2c1C.
What is the InChIKey of 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZBNABVPUWSZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-15-7-8-17(30(26,27)24-9-11-28-12-10-24)13-19(15)22(25)23-14-21-16(2)18-5-3-4-6-20(18)29-21/h3-8,13H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 428.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 86954311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).