N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide

C25H21NO7S — CID 99804895

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide
SMILESO=C(c1ccco1)c1coc2ccc(OCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)cc12
InChIInChI=1S/C25H21NO7S/c27-24(26(17-5-2-1-3-6-17)18-10-12-34(29,30)16-18)15-32-19-8-9-22-20(13-19)21(14-33-22)25(28)23-7-4-11-31-23/h1-9,11,13-14,18H,10,12,15-16H2/t18-/m0/s1
InChIKeyTWZABUUICIVZMK-SFHVURJKSA-N
MW479.51 g/mol
LogP3.86
Rot. Bonds7

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide (PubChem CID 99804895) has the molecular formula C25H21NO7S and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide
PubChem CID99804895
Molecular FormulaC25H21NO7S
Molecular Weight479.51 g/mol
Exact Mass479.10
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide
SMILESO=C(c1ccco1)c1coc2ccc(OCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)cc12
InChIInChI=1S/C25H21NO7S/c27-24(26(17-5-2-1-3-6-17)18-10-12-34(29,30)16-18)15-32-19-8-9-22-20(13-19)21(14-33-22)25(28)23-7-4-11-31-23/h1-9,11,13-14,18H,10,12,15-16H2/t18-/m0/s1
InChIKeyTWZABUUICIVZMK-SFHVURJKSA-N
XLogP3.86
TPSA107.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7751035
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7816188
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)-N-phenylacetamide
CID 7817842
2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7818841
2-(4-tert-butylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8009492
2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-piperidin-1-ylethanone
CID 91938984
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-nitrophenoxy)-N-phenylacetamide
CID 7864995
2-[4-(4-cyanophenyl)phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 40986236
[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939011
methyl 2-[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethoxy]benzoate
CID 7763982
2-(2,4-dichlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7503891
2-[[3-(4-chlorobenzoyl)-1-benzofuran-5-yl]oxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 99804893

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide (CID 99804895) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide is O=C(c1ccco1)c1coc2ccc(OCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)cc12.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide?
The InChIKey is TWZABUUICIVZMK-SFHVURJKSA-N. The full InChI is InChI=1S/C25H21NO7S/c27-24(26(17-5-2-1-3-6-17)18-10-12-34(29,30)16-18)15-32-19-8-9-22-20(13-19)21(14-33-22)25(28)23-7-4-11-31-23/h1-9,11,13-14,18H,10,12,15-16H2/t18-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide has a molecular weight of 479.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide is sourced from PubChem (CID 99804895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).