2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide

C16H20FNO3S — CID 110355714

IUPAC2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H20FNO3S/c1-18(14-8-9-22(20,21)10-14)16(19)15(11-2-3-11)12-4-6-13(17)7-5-12/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyQYPULEHFRRLIBH-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.96
Rot. Bonds4

About 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide

2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 110355714) has the molecular formula C16H20FNO3S and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID110355714
Molecular FormulaC16H20FNO3S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H20FNO3S/c1-18(14-8-9-22(20,21)10-14)16(19)15(11-2-3-11)12-4-6-13(17)7-5-12/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyQYPULEHFRRLIBH-UHFFFAOYSA-N
XLogP1.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110411899
N-(1,1-dioxothiolan-3-yl)-2,3-bis(4-fluorophenyl)-N-methylpropanamide
CID 110296558
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94180332
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 8740701
N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
CID 109026637
2-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666510
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
CID 63110270
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574995
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 41188037
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
2-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-5-fluorophenol
CID 82981552

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide (CID 110355714) is 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide is CN(C(=O)C(c1ccc(F)cc1)C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is QYPULEHFRRLIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3S/c1-18(14-8-9-22(20,21)10-14)16(19)15(11-2-3-11)12-4-6-13(17)7-5-12/h4-7,11,14-15H,2-3,8-10H2,1H3.
What are the key properties of 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide?
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 325.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 110355714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).