N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C18H23NO4S — CID 95981194

IUPACN-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1C(=O)C1CCCC1
InChIInChI=1S/C18H23NO4S/c20-17(11-13-9-10-24(22,23)12-13)19-16-8-4-3-7-15(16)18(21)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,19,20)/t13-/m0/s1
InChIKeyZUMQZFVPAAXTDY-ZDUSSCGKSA-N
MW349.45 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 95981194) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID95981194
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1C(=O)C1CCCC1
InChIInChI=1S/C18H23NO4S/c20-17(11-13-9-10-24(22,23)12-13)19-16-8-4-3-7-15(16)18(21)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,19,20)/t13-/m0/s1
InChIKeyZUMQZFVPAAXTDY-ZDUSSCGKSA-N
XLogP2.82
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620362
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620361
N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408989
2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64795292
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 7070783
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 8736621
N-(5-bromo-2-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 60712565
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
N-(2,4-difluorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9209582
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 95981194) is N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1C(=O)C1CCCC1.
What is the InChIKey of N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is ZUMQZFVPAAXTDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23NO4S/c20-17(11-13-9-10-24(22,23)12-13)19-16-8-4-3-7-15(16)18(21)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 349.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 95981194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).