N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide

C23H26N2O5S — CID 20967880

IUPACN-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C
InChIInChI=1S/C23H26N2O5S/c1-3-24(16-18-7-5-4-6-8-18)23(26)22-17(2)20-15-19(9-10-21(20)30-22)31(27,28)25-11-13-29-14-12-25/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyUGCJKJPTPBJRSX-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.42
Rot. Bonds6

About N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide

N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide (PubChem CID 20967880) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
PubChem CID20967880
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C
InChIInChI=1S/C23H26N2O5S/c1-3-24(16-18-7-5-4-6-8-18)23(26)22-17(2)20-15-19(9-10-21(20)30-22)31(27,28)25-11-13-29-14-12-25/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyUGCJKJPTPBJRSX-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide (CID 20967880) is N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C.
What is the InChIKey of N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is UGCJKJPTPBJRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-3-24(16-18-7-5-4-6-8-18)23(26)22-17(2)20-15-19(9-10-21(20)30-22)31(27,28)25-11-13-29-14-12-25/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20967880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).