N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide

C23H22BrNO4S — CID 42278660

IUPACN-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H22BrNO4S/c24-21-12-11-20(29-21)15-25(19-13-14-30(27,28)16-19)23(26)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,19,22H,13-16H2/t19-/m0/s1
InChIKeyQFGLFXYWQHGVKC-IBGZPJMESA-N
MW488.40 g/mol
LogP4.39
Rot. Bonds6

About N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide

N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide (PubChem CID 42278660) has the molecular formula C23H22BrNO4S and a molecular weight of 488.40 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
PubChem CID42278660
Molecular FormulaC23H22BrNO4S
Molecular Weight488.40 g/mol
Exact Mass487.05
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H22BrNO4S/c24-21-12-11-20(29-21)15-25(19-13-14-30(27,28)16-19)23(26)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,19,22H,13-16H2/t19-/m0/s1
InChIKeyQFGLFXYWQHGVKC-IBGZPJMESA-N
XLogP4.39
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide with MolForge

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylpropanamide
CID 42278603
N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenoxyacetamide
CID 42278605
N-[(5-bromofuran-2-yl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 42278598
N-[(5-bromofuran-2-yl)methyl]-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 42278413
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 35127796
N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
CID 35141310
N-[(5-bromofuran-2-yl)methyl]-2-butoxy-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 42278531
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxothiolan-3-yl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 139582763
N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42278613
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 139582979
N-[(5-bromofuran-2-yl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4,5-trimethoxybenzamide
CID 40986019
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 7388981

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide (CID 42278660) is N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide is O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
The InChIKey is QFGLFXYWQHGVKC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22BrNO4S/c24-21-12-11-20(29-21)15-25(19-13-14-30(27,28)16-19)23(26)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,19,22H,13-16H2/t19-/m0/s1.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide has a molecular weight of 488.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 42278660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).