N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide

C20H20N2O5S — CID 17442191

IUPACN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O5S/c23-20(18-13-15-5-1-3-7-17(15)27-18)21-14-16-6-2-4-8-19(16)28(24,25)22-9-11-26-12-10-22/h1-8,13H,9-12,14H2,(H,21,23)
InChIKeySGZJKBQUIKFDBG-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.38
Rot. Bonds5

About N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 17442191) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID17442191
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O5S/c23-20(18-13-15-5-1-3-7-17(15)27-18)21-14-16-6-2-4-8-19(16)28(24,25)22-9-11-26-12-10-22/h1-8,13H,9-12,14H2,(H,21,23)
InChIKeySGZJKBQUIKFDBG-UHFFFAOYSA-N
XLogP2.38
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 27702531
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 33308662
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167940
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
3-(cyclopropylsulfamoyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 24680805
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 17442191) is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SGZJKBQUIKFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c23-20(18-13-15-5-1-3-7-17(15)27-18)21-14-16-6-2-4-8-19(16)28(24,25)22-9-11-26-12-10-22/h1-8,13H,9-12,14H2,(H,21,23).
What are the key properties of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17442191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).