2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide

C20H20N2O6S — CID 9318435

IUPAC2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H20N2O6S/c23-18(22-20(25)21-16-10-11-29(26,27)13-16)12-28-17-8-6-15(7-9-17)19(24)14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H2,21,22,23,25)/t16-/m0/s1
InChIKeyVPGVTIKSJQRNGS-INIZCTEOSA-N
MW416.46 g/mol
LogP1.31
Rot. Bonds6

About 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide

2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide (PubChem CID 9318435) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
PubChem CID9318435
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H20N2O6S/c23-18(22-20(25)21-16-10-11-29(26,27)13-16)12-28-17-8-6-15(7-9-17)19(24)14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H2,21,22,23,25)/t16-/m0/s1
InChIKeyVPGVTIKSJQRNGS-INIZCTEOSA-N
XLogP1.31
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide with MolForge

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27710023
methyl 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7667372
2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide
CID 43015894
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 40918116
N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide
CID 51417817
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-phenoxybenzoate
CID 2646618
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-phenoxybutyl)urea
CID 94026963

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide (CID 9318435) is 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide?
The InChIKey is VPGVTIKSJQRNGS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N2O6S/c23-18(22-20(25)21-16-10-11-29(26,27)13-16)12-28-17-8-6-15(7-9-17)19(24)14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H2,21,22,23,25)/t16-/m0/s1.
What are the key properties of 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide?
2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide is sourced from PubChem (CID 9318435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).