N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C17H24F3N3O4S — CID 55376416

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCCN1CCCC1CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O4S/c1-2-23-11-3-4-13(23)12-21-16(24)9-10-22-28(25,26)15-7-5-14(6-8-15)27-17(18,19)20/h5-8,13,22H,2-4,9-12H2,1H3,(H,21,24)
InChIKeyHOPOBRHVMSKKJW-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.85
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 55376416) has the molecular formula C17H24F3N3O4S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID55376416
Molecular FormulaC17H24F3N3O4S
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCCN1CCCC1CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O4S/c1-2-23-11-3-4-13(23)12-21-16(24)9-10-22-28(25,26)15-7-5-14(6-8-15)27-17(18,19)20/h5-8,13,22H,2-4,9-12H2,1H3,(H,21,24)
InChIKeyHOPOBRHVMSKKJW-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55723188
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24545871
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43081448
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide
CID 55838634

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 55376416) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is CCN1CCCC1CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is HOPOBRHVMSKKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O4S/c1-2-23-11-3-4-13(23)12-21-16(24)9-10-22-28(25,26)15-7-5-14(6-8-15)27-17(18,19)20/h5-8,13,22H,2-4,9-12H2,1H3,(H,21,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 423.46 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55376416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).