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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)cyclopropanecarboxamide
CID 40505721
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)cyclopropanecarboxamide
CID 40505518
N-(4-bromophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 7487536
N-(4-bromophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 7487545
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 40505743
N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentanecarboxamide
CID 20882009
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 51400330
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 18880283
4-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 44826563
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 40505435
4-tert-butyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 44826565
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methoxyacetamide
CID 18554253

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).