N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide

C18H26F2N2O4S — CID 112844401

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCCC(NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C18H26F2N2O4S/c1-2-15(14-8-3-4-9-16(14)26-18(19)20)21-17(23)10-7-13-27(24,25)22-11-5-6-12-22/h3-4,8-9,15,18H,2,5-7,10-13H2,1H3,(H,21,23)
InChIKeyVDOHTUCESPWGPX-UHFFFAOYSA-N
MW404.48 g/mol
LogP3.06
Rot. Bonds10

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112844401) has the molecular formula C18H26F2N2O4S and a molecular weight of 404.48 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112844401
Molecular FormulaC18H26F2N2O4S
Molecular Weight404.48 g/mol
Exact Mass404.16
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCCC(NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C18H26F2N2O4S/c1-2-15(14-8-3-4-9-16(14)26-18(19)20)21-17(23)10-7-13-27(24,25)22-11-5-6-12-22/h3-4,8-9,15,18H,2,5-7,10-13H2,1H3,(H,21,23)
InChIKeyVDOHTUCESPWGPX-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55672746
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55656274
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560678
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55656137
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide
CID 46485327
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
CID 95781613
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55656277
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide
CID 119721294
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443690

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112844401) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide is CCC(NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is VDOHTUCESPWGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O4S/c1-2-15(14-8-3-4-9-16(14)26-18(19)20)21-17(23)10-7-13-27(24,25)22-11-5-6-12-22/h3-4,8-9,15,18H,2,5-7,10-13H2,1H3,(H,21,23).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 404.48 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112844401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).