2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C24H26N2O5S — CID 30505923

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N2O5S/c27-24(14-20-16-31-23-13-19-3-1-2-18(19)12-22(20)23)25-15-17-4-6-21(7-5-17)32(28,29)26-8-10-30-11-9-26/h4-7,12-13,16H,1-3,8-11,14-15H2,(H,25,27)
InChIKeyQDQQJUBOFBJZIF-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.80
Rot. Bonds6

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 30505923) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID30505923
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N2O5S/c27-24(14-20-16-31-23-13-19-3-1-2-18(19)12-22(20)23)25-15-17-4-6-21(7-5-17)32(28,29)26-8-10-30-11-9-26/h4-7,12-13,16H,1-3,8-11,14-15H2,(H,25,27)
InChIKeyQDQQJUBOFBJZIF-UHFFFAOYSA-N
XLogP2.80
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 42444610
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 26269633
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 46462194
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 30505923) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is QDQQJUBOFBJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c27-24(14-20-16-31-23-13-19-3-1-2-18(19)12-22(20)23)25-15-17-4-6-21(7-5-17)32(28,29)26-8-10-30-11-9-26/h4-7,12-13,16H,1-3,8-11,14-15H2,(H,25,27).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 30505923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).