N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide

C17H23F2NO2S — CID 97234847

IUPACN-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide
SMILESCC[C@H](c1ccc(F)cc1F)[S@@](=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C17H23F2NO2S/c1-2-16(14-8-7-13(18)11-15(14)19)23(22)10-9-20-17(21)12-5-3-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,20,21)/t16-,23+/m1/s1
InChIKeyZYQWEWBGTMPEOV-MWTRTKDXSA-N
MW343.44 g/mol
LogP3.47
Rot. Bonds7

About N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide

N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide (PubChem CID 97234847) has the molecular formula C17H23F2NO2S and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide
PubChem CID97234847
Molecular FormulaC17H23F2NO2S
Molecular Weight343.44 g/mol
Exact Mass343.14
IUPAC NameN-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide
SMILESCC[C@H](c1ccc(F)cc1F)[S@@](=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C17H23F2NO2S/c1-2-16(14-8-7-13(18)11-15(14)19)23(22)10-9-20-17(21)12-5-3-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,20,21)/t16-,23+/m1/s1
InChIKeyZYQWEWBGTMPEOV-MWTRTKDXSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane
CID 97221001
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
CID 97098048
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide
CID 75384018
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 156815845
N-[2-[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111902137
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119796283
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
methyl (2S)-2-(cyclopentanecarbonylamino)-2-(2,5-difluorophenyl)acetate
CID 95284034

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide (CID 97234847) is N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide is CC[C@H](c1ccc(F)cc1F)[S@@](=O)CCNC(=O)C1CCCC1.
What is the InChIKey of N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide?
The InChIKey is ZYQWEWBGTMPEOV-MWTRTKDXSA-N. The full InChI is InChI=1S/C17H23F2NO2S/c1-2-16(14-8-7-13(18)11-15(14)19)23(22)10-9-20-17(21)12-5-3-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,20,21)/t16-,23+/m1/s1.
What are the key properties of N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide?
N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide has a molecular weight of 343.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 97234847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).