N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide

C14H14FNO3S — CID 40505720

IUPACN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H14FNO3S/c15-11-3-5-12(6-4-11)16(14(17)10-1-2-10)13-7-8-20(18,19)9-13/h3-8,10,13H,1-2,9H2/t13-/m0/s1
InChIKeyYNPFDWNKWTYJRX-ZDUSSCGKSA-N
MW295.33 g/mol
LogP1.88
Rot. Bonds3

About N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide (PubChem CID 40505720) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide
PubChem CID40505720
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H14FNO3S/c15-11-3-5-12(6-4-11)16(14(17)10-1-2-10)13-7-8-20(18,19)9-13/h3-8,10,13H,1-2,9H2/t13-/m0/s1
InChIKeyYNPFDWNKWTYJRX-ZDUSSCGKSA-N
XLogP1.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide (CID 40505720) is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide is O=C(C1CC1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide?
The InChIKey is YNPFDWNKWTYJRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-11-3-5-12(6-4-11)16(14(17)10-1-2-10)13-7-8-20(18,19)9-13/h3-8,10,13H,1-2,9H2/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide?
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide has a molecular weight of 295.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 40505720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).