N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide

C25H28F2N2O3S2 — CID 24731443

IUPACN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1ccccc1)C1CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C25H28F2N2O3S2/c26-25(27)32-23-10-5-4-9-21(23)19-28-15-13-22(14-16-28)29(17-12-20-7-2-1-3-8-20)34(30,31)24-11-6-18-33-24/h1-11,18,22,25H,12-17,19H2
InChIKeyCHKLXGYNBPDYTM-UHFFFAOYSA-N
MW506.64 g/mol
LogP5.25
Rot. Bonds10

About N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide

N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide (PubChem CID 24731443) has the molecular formula C25H28F2N2O3S2 and a molecular weight of 506.64 g/mol. Its IUPAC name is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
PubChem CID24731443
Molecular FormulaC25H28F2N2O3S2
Molecular Weight506.64 g/mol
Exact Mass506.15
IUPAC NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1ccccc1)C1CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C25H28F2N2O3S2/c26-25(27)32-23-10-5-4-9-21(23)19-28-15-13-22(14-16-28)29(17-12-20-7-2-1-3-8-20)34(30,31)24-11-6-18-33-24/h1-11,18,22,25H,12-17,19H2
InChIKeyCHKLXGYNBPDYTM-UHFFFAOYSA-N
XLogP5.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide
CID 22026025
[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909783
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide
CID 24730675
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 43577528
N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772872
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
(3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55941308
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8553411
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 24731456
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide (CID 24731443) is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCc1ccccc1)C1CCN(Cc2ccccc2OC(F)F)CC1.
What is the InChIKey of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide?
The InChIKey is CHKLXGYNBPDYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O3S2/c26-25(27)32-23-10-5-4-9-21(23)19-28-15-13-22(14-16-28)29(17-12-20-7-2-1-3-8-20)34(30,31)24-11-6-18-33-24/h1-11,18,22,25H,12-17,19H2.
What are the key properties of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide?
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide has a molecular weight of 506.64 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 24731443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).