N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide

C19H30N2O4S — CID 108565033

IUPACN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C19H30N2O4S/c1-4-5-13-26(23,24)20-17-9-11-21(12-10-17)19(22)14-25-18-8-6-7-15(2)16(18)3/h6-8,17,20H,4-5,9-14H2,1-3H3
InChIKeyXDQRQILVGPTFGN-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.39
Rot. Bonds8

About N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide

N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide (PubChem CID 108565033) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide
PubChem CID108565033
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C19H30N2O4S/c1-4-5-13-26(23,24)20-17-9-11-21(12-10-17)19(22)14-25-18-8-6-7-15(2)16(18)3/h6-8,17,20H,4-5,9-14H2,1-3H3
InChIKeyXDQRQILVGPTFGN-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide 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

1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
CID 108565042
N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34355028
N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34348063
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809
N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349122
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
butyl 4-[2-(2,3-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568741
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide (CID 108565033) is N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)COc2cccc(C)c2C)CC1.
What is the InChIKey of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is XDQRQILVGPTFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-4-5-13-26(23,24)20-17-9-11-21(12-10-17)19(22)14-25-18-8-6-7-15(2)16(18)3/h6-8,17,20H,4-5,9-14H2,1-3H3.
What are the key properties of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide?
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 382.53 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 108565033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).