5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C23H23NO7S2 — CID 125434366

IUPAC5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C23H23NO7S2/c1-30-19-9-7-17(8-10-19)15-24(18-13-14-32(26,27)16-18)23(25)21-11-12-22(31-21)33(28,29)20-5-3-2-4-6-20/h2-12,18H,13-16H2,1H3/t18-/m0/s1
InChIKeyCSHIYJYWBXDGBJ-SFHVURJKSA-N
MW489.57 g/mol
LogP2.95
Rot. Bonds7

About 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 125434366) has the molecular formula C23H23NO7S2 and a molecular weight of 489.57 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID125434366
Molecular FormulaC23H23NO7S2
Molecular Weight489.57 g/mol
Exact Mass489.09
IUPAC Name5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C23H23NO7S2/c1-30-19-9-7-17(8-10-19)15-24(18-13-14-32(26,27)16-18)23(25)21-11-12-22(31-21)33(28,29)20-5-3-2-4-6-20/h2-12,18H,13-16H2,1H3/t18-/m0/s1
InChIKeyCSHIYJYWBXDGBJ-SFHVURJKSA-N
XLogP2.95
TPSA110.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 125434394
5-(4-bromophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 125434402
N-[(3-bromophenyl)methyl]-5-(4-bromophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 125434364
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 7123320
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 3326822
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
CID 3718652
N-[(4-tert-butylphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxybenzamide
CID 27309111
(E)-3-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 6587708
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 42278877
3,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 3367983
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7986144
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011479

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 125434366) is 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is CSHIYJYWBXDGBJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO7S2/c1-30-19-9-7-17(8-10-19)15-24(18-13-14-32(26,27)16-18)23(25)21-11-12-22(31-21)33(28,29)20-5-3-2-4-6-20/h2-12,18H,13-16H2,1H3/t18-/m0/s1.
What are the key properties of 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 489.57 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 125434366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).