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

C23H23ClN2O5S — CID 26269633

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H23ClN2O5S/c24-20-5-4-18(13-22(20)32(28,29)26-6-8-30-9-7-26)25-23(27)12-17-14-31-21-11-16-3-1-2-15(16)10-19(17)21/h4-5,10-11,13-14H,1-3,6-9,12H2,(H,25,27)
InChIKeyUNULWBMHYQUNRW-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.78
Rot. Bonds5

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

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 26269633) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID26269633
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H23ClN2O5S/c24-20-5-4-18(13-22(20)32(28,29)26-6-8-30-9-7-26)25-23(27)12-17-14-31-21-11-16-3-1-2-15(16)10-19(17)21/h4-5,10-11,13-14H,1-3,6-9,12H2,(H,25,27)
InChIKeyUNULWBMHYQUNRW-UHFFFAOYSA-N
XLogP3.78
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26521392
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 30505923
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545129
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054
N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 4847739
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 46524962
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22830887
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3520986
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 26269633) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is UNULWBMHYQUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c24-20-5-4-18(13-22(20)32(28,29)26-6-8-30-9-7-26)25-23(27)12-17-14-31-21-11-16-3-1-2-15(16)10-19(17)21/h4-5,10-11,13-14H,1-3,6-9,12H2,(H,25,27).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 474.97 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 26269633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).