N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide

C16H22FNO3S — CID 4244101

IUPACN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22FNO3S/c1-2-3-4-16(19)18(15-9-10-22(20,21)12-15)11-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3
InChIKeyZBNSOFJNZLXMTD-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.53
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide

N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide (PubChem CID 4244101) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide
PubChem CID4244101
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22FNO3S/c1-2-3-4-16(19)18(15-9-10-22(20,21)12-15)11-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3
InChIKeyZBNSOFJNZLXMTD-UHFFFAOYSA-N
XLogP2.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide (CID 4244101) is N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide is CCCCC(=O)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
The InChIKey is ZBNSOFJNZLXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-2-3-4-16(19)18(15-9-10-22(20,21)12-15)11-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide has a molecular weight of 327.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 4244101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).