N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide

C12H12F5NO2S — CID 58137420

IUPACN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide
SMILESCC(=O)c1cc(NC(=O)C2CC2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H12F5NO2S/c1-7(19)9-4-10(18-12(20)8-2-3-8)6-11(5-9)21(13,14,15,16)17/h4-6,8H,2-3H2,1H3,(H,18,20)
InChIKeyOPXZIJUZOBPGKW-UHFFFAOYSA-N
MW329.29 g/mol
LogP4.90
Rot. Bonds4

About N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide

N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide (PubChem CID 58137420) has the molecular formula C12H12F5NO2S and a molecular weight of 329.29 g/mol. Its IUPAC name is N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide
PubChem CID58137420
Molecular FormulaC12H12F5NO2S
Molecular Weight329.29 g/mol
Exact Mass329.05
IUPAC NameN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide
SMILESCC(=O)c1cc(NC(=O)C2CC2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H12F5NO2S/c1-7(19)9-4-10(18-12(20)8-2-3-8)6-11(5-9)21(13,14,15,16)17/h4-6,8H,2-3H2,1H3,(H,18,20)
InChIKeyOPXZIJUZOBPGKW-UHFFFAOYSA-N
XLogP4.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 89283971
CID 89283971
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
2-bromo-1-[3-(cyclopropylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone
CID 87211205
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide (CID 58137420) is N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide is CC(=O)c1cc(NC(=O)C2CC2)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide?
The InChIKey is OPXZIJUZOBPGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO2S/c1-7(19)9-4-10(18-12(20)8-2-3-8)6-11(5-9)21(13,14,15,16)17/h4-6,8H,2-3H2,1H3,(H,18,20).
What are the key properties of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide?
N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide has a molecular weight of 329.29 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 58137420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).