N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide

C18H23FN2O3S2 — CID 71451454

IUPACN-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1
InChIInChI=1S/C18H23FN2O3S2/c19-16-3-1-4-17(13-16)24-11-10-21-8-6-15(7-9-21)14-20-26(22,23)18-5-2-12-25-18/h1-5,12-13,15,20H,6-11,14H2
InChIKeyBMFHZRZIYNLNCC-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.96
Rot. Bonds8

About N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide

N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 71451454) has the molecular formula C18H23FN2O3S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID71451454
Molecular FormulaC18H23FN2O3S2
Molecular Weight398.53 g/mol
Exact Mass398.11
IUPAC NameN-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1
InChIInChI=1S/C18H23FN2O3S2/c19-16-3-1-4-17(13-16)24-11-10-21-8-6-15(7-9-21)14-20-26(22,23)18-5-2-12-25-18/h1-5,12-13,15,20H,6-11,14H2
InChIKeyBMFHZRZIYNLNCC-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine
CID 8745174
N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24979484
N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 55479093
4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71458648
N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458649
3-fluoro-4-methoxy-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888291
4-ethoxy-3-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888328
4-ethoxy-3-fluoro-N-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16932992
3-fluoro-4-methoxy-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933149
5-ethyl-N-(2-(4-fluorophenoxy)ethyl)thiophene-2-sulfonamide
CID 30867075
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
2-(4-Fluorophenoxy)-N-{2-[4-(thiophen-2-YL)piperidin-1-YL]ethyl}acetamide
CID 71787079

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 71451454) is N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1.
What is the InChIKey of N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is BMFHZRZIYNLNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S2/c19-16-3-1-4-17(13-16)24-11-10-21-8-6-15(7-9-21)14-20-26(22,23)18-5-2-12-25-18/h1-5,12-13,15,20H,6-11,14H2.
What are the key properties of N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71451454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).