N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C16H22F2N2O2S — CID 111462087

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CCCO)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H22F2N2O2S/c17-16(18)23-14-7-5-12(6-8-14)19-15(22)11-20-9-1-3-13(20)4-2-10-21/h5-8,13,16,21H,1-4,9-11H2,(H,19,22)
InChIKeyXWILZZBVJJARCJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.18
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 111462087) has the molecular formula C16H22F2N2O2S and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID111462087
Molecular FormulaC16H22F2N2O2S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CCCO)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H22F2N2O2S/c17-16(18)23-14-7-5-12(6-8-14)19-15(22)11-20-9-1-3-13(20)4-2-10-21/h5-8,13,16,21H,1-4,9-11H2,(H,19,22)
InChIKeyXWILZZBVJJARCJ-UHFFFAOYSA-N
XLogP3.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467277
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 95347315
1-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125194
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 62467819
N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide
CID 111103086
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 24534092
N-(4-chloro-2-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466914
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111431815
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691
N-(2,3-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466913

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 111462087) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1CCCO)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is XWILZZBVJJARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2S/c17-16(18)23-14-7-5-12(6-8-14)19-15(22)11-20-9-1-3-13(20)4-2-10-21/h5-8,13,16,21H,1-4,9-11H2,(H,19,22).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111462087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).