N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide

C18H14F3NO3S — CID 40505646

IUPACN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)16-9-5-4-8-15(16)17(23)22(13-6-2-1-3-7-13)14-10-11-26(24,25)12-14/h1-11,14H,12H2/t14-/m0/s1
InChIKeyPXUYBZKUCMLMMY-AWEZNQCLSA-N
MW381.38 g/mol
LogP3.66
Rot. Bonds3

About N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide (PubChem CID 40505646) has the molecular formula C18H14F3NO3S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide
PubChem CID40505646
Molecular FormulaC18H14F3NO3S
Molecular Weight381.38 g/mol
Exact Mass381.06
IUPAC NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)16-9-5-4-8-15(16)17(23)22(13-6-2-1-3-7-13)14-10-11-26(24,25)12-14/h1-11,14H,12H2/t14-/m0/s1
InChIKeyPXUYBZKUCMLMMY-AWEZNQCLSA-N
XLogP3.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 43954742
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-phenylbenzamide
CID 3111985
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-N-phenylbenzamide
CID 40505638
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 18880283
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 6619989
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methylbenzamide
CID 40505440
2-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)benzamide
CID 7481433
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-4-phenylbenzamide
CID 167768997
2-bromo-N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 41236056
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 40505743
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)benzamide
CID 40642888

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide (CID 40505646) is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide?
The InChIKey is PXUYBZKUCMLMMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14F3NO3S/c19-18(20,21)16-9-5-4-8-15(16)17(23)22(13-6-2-1-3-7-13)14-10-11-26(24,25)12-14/h1-11,14H,12H2/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide?
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide has a molecular weight of 381.38 g/mol, XLogP of 3.66, 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-phenyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 40505646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).