2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C18H20N2O4S — CID 27710023

IUPAC2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H20N2O4S/c21-18(20-16-10-11-25(22,23)13-16)12-24-17-8-6-15(7-9-17)19-14-4-2-1-3-5-14/h1-9,16,19H,10-13H2,(H,20,21)/t16-/m1/s1
InChIKeyKEURPRLNYYMPAX-MRXNPFEDSA-N
MW360.44 g/mol
LogP2.11
Rot. Bonds6

About 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 27710023) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID27710023
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H20N2O4S/c21-18(20-16-10-11-25(22,23)13-16)12-24-17-8-6-15(7-9-17)19-14-4-2-1-3-5-14/h1-9,16,19H,10-13H2,(H,20,21)/t16-/m1/s1
InChIKeyKEURPRLNYYMPAX-MRXNPFEDSA-N
XLogP2.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
methyl 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7667372
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenoxy)acetamide
CID 7079987
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 9318435
2-(4-anilinophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 40798409
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
2-(4-butan-2-ylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18165423

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 27710023) is 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C(COc1ccc(Nc2ccccc2)cc1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is KEURPRLNYYMPAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(20-16-10-11-25(22,23)13-16)12-24-17-8-6-15(7-9-17)19-14-4-2-1-3-5-14/h1-9,16,19H,10-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 27710023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).