N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C23H26N2O6S2 — CID 41247942

IUPACN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C23H26N2O6S2/c26-22(15-30-16-5-7-21-19(13-16)18-3-1-2-4-20(18)31-21)24-14-17-6-8-23(32-17)33(27,28)25-9-11-29-12-10-25/h5-8,13H,1-4,9-12,14-15H2,(H,24,26)
InChIKeyTXBOVTFQOYUDAC-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.09
Rot. Bonds7

About N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 41247942) has the molecular formula C23H26N2O6S2 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID41247942
Molecular FormulaC23H26N2O6S2
Molecular Weight490.60 g/mol
Exact Mass490.12
IUPAC NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C23H26N2O6S2/c26-22(15-30-16-5-7-21-19(13-16)18-3-1-2-4-20(18)31-21)24-14-17-6-8-23(32-17)33(27,28)25-9-11-29-12-10-25/h5-8,13H,1-4,9-12,14-15H2,(H,24,26)
InChIKeyTXBOVTFQOYUDAC-UHFFFAOYSA-N
XLogP3.09
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 41247942) is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is TXBOVTFQOYUDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S2/c26-22(15-30-16-5-7-21-19(13-16)18-3-1-2-4-20(18)31-21)24-14-17-6-8-23(32-17)33(27,28)25-9-11-29-12-10-25/h5-8,13H,1-4,9-12,14-15H2,(H,24,26).
What are the key properties of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 490.60 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 41247942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).