N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide

C23H25F3N2O3S2 — CID 46830604

IUPACN-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCCCC1)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C23H25F3N2O3S2/c24-23(25,26)31-20-10-8-18(9-11-20)17-28(22-16-19-6-2-3-7-21(19)32-22)33(29,30)15-14-27-12-4-1-5-13-27/h2-3,6-11,16H,1,4-5,12-15,17H2
InChIKeyXCIHPXLGWIZBBV-UHFFFAOYSA-N
MW498.59 g/mol
LogP5.62
Rot. Bonds8

About N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide

N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide (PubChem CID 46830604) has the molecular formula C23H25F3N2O3S2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
PubChem CID46830604
Molecular FormulaC23H25F3N2O3S2
Molecular Weight498.59 g/mol
Exact Mass498.13
IUPAC NameN-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCCCC1)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C23H25F3N2O3S2/c24-23(25,26)31-20-10-8-18(9-11-20)17-28(22-16-19-6-2-3-7-21(19)32-22)33(29,30)15-14-27-12-4-1-5-13-27/h2-3,6-11,16H,1,4-5,12-15,17H2
InChIKeyXCIHPXLGWIZBBV-UHFFFAOYSA-N
XLogP5.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,4-difluoropiperidin-1-yl)-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 46833203
2-(3,3-difluoroazetidin-1-yl)-N-naphthalen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 46830894
N-(3-methyl-1-benzothiophen-2-yl)-2-(7-methyl-2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 91194380
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 46832054
N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 66907234
2-[di(propan-2-yl)amino]-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 46833202
2-[benzyl(methyl)amino]-N-(3-bromo-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 46830888
2-(dipropylamino)-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 46831189
N,N-bis[(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanesulfonamide;2-pyrrolidin-1-ylethanesulfonamide
CID 158356364
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 22137282
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-phenyl-2-piperidin-1-ylethanesulfonamide;methyl 4-[[N-(2-piperidin-1-ylethylsulfonyl)anilino]methyl]benzoate
CID 162151350

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide (CID 46830604) is N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide is O=S(=O)(CCN1CCCCC1)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide?
The InChIKey is XCIHPXLGWIZBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3S2/c24-23(25,26)31-20-10-8-18(9-11-20)17-28(22-16-19-6-2-3-7-21(19)32-22)33(29,30)15-14-27-12-4-1-5-13-27/h2-3,6-11,16H,1,4-5,12-15,17H2.
What are the key properties of N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide?
N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide has a molecular weight of 498.59 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-2-piperidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 46830604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).