N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine

C19H25FN2O3S — CID 55838430

IUPACN-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine
SMILESCCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O3S/c1-3-21(15(2)16-6-8-17(20)9-7-16)14-18-10-11-19(25-18)26(23,24)22-12-4-5-13-22/h6-11,15H,3-5,12-14H2,1-2H3
InChIKeyYBMFYXVQSUWCSE-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.79
Rot. Bonds7

About N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine

N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine (PubChem CID 55838430) has the molecular formula C19H25FN2O3S and a molecular weight of 380.49 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine
PubChem CID55838430
Molecular FormulaC19H25FN2O3S
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC NameN-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine
SMILESCCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O3S/c1-3-21(15(2)16-6-8-17(20)9-7-16)14-18-10-11-19(25-18)26(23,24)22-12-4-5-13-22/h6-11,15H,3-5,12-14H2,1-2H3
InChIKeyYBMFYXVQSUWCSE-UHFFFAOYSA-N
XLogP3.79
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 55739537
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
CID 55827224
methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
CID 47053734
1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
CID 97056140
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
3,5-difluoro-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]aniline
CID 71998042
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
ethyl 5-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 60508886
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 24571413
5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55828293
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 46670040
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine (CID 55838430) is N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine is CCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine?
The InChIKey is YBMFYXVQSUWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3S/c1-3-21(15(2)16-6-8-17(20)9-7-16)14-18-10-11-19(25-18)26(23,24)22-12-4-5-13-22/h6-11,15H,3-5,12-14H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine?
N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine has a molecular weight of 380.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 55838430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).