N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

C23H23NO4S — CID 3000149

IUPACN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H23NO4S/c25-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24(16-21-12-7-14-28-21)20-13-15-29(26,27)17-20/h1-12,14,20,22H,13,15-17H2
InChIKeyWWQLRIJSQYBUOP-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.63
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (PubChem CID 3000149) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
PubChem CID3000149
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H23NO4S/c25-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24(16-21-12-7-14-28-21)20-13-15-29(26,27)17-20/h1-12,14,20,22H,13,15-17H2
InChIKeyWWQLRIJSQYBUOP-UHFFFAOYSA-N
XLogP3.63
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-(furan-2-yl)prop-2-enamide
CID 5975659
1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)-N-(4-methoxybenzyl)prop-2-enamide
CID 6049421
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
1-Benzenesulfonyl-piperidine-4-carboxylic acid furan-2-ylmethyl-phenethyl-amide
CID 654430
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-furylmethyl)-2-methoxybenzamide
CID 664384
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 664684
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 665645
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 665764
N-(2-furanylmethyl)-5-methyl-4-phenyl-3-thiophenecarboxamide
CID 1245893
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 2990516
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
CID 3158865

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (CID 3000149) is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The InChIKey is WWQLRIJSQYBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c25-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24(16-21-12-7-14-28-21)20-13-15-29(26,27)17-20/h1-12,14,20,22H,13,15-17H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide has a molecular weight of 409.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 3000149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).