N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide

C16H21FN2O4S — CID 4780402

IUPACN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H21FN2O4S/c1-2-19(16(21)9-12-5-3-4-6-14(12)17)10-15(20)18-13-7-8-24(22,23)11-13/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKeyNHADWMGPOUQYGW-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.52
Rot. Bonds6

About N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide (PubChem CID 4780402) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide
PubChem CID4780402
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H21FN2O4S/c1-2-19(16(21)9-12-5-3-4-6-14(12)17)10-15(20)18-13-7-8-24(22,23)11-13/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKeyNHADWMGPOUQYGW-UHFFFAOYSA-N
XLogP0.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide (CID 4780402) is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)Cc1ccccc1F.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide?
The InChIKey is NHADWMGPOUQYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-2-19(16(21)9-12-5-3-4-6-14(12)17)10-15(20)18-13-7-8-24(22,23)11-13/h3-6,13H,2,7-11H2,1H3,(H,18,20).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide?
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4780402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).