N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide

C20H26N2O4S2 — CID 112788312

IUPACN-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15-6-4-7-16(2)22(15)19(23)14-26-18-11-9-17(10-12-18)21(3)28(24,25)20-8-5-13-27-20/h5,8-13,15-16H,4,6-7,14H2,1-3H3
InChIKeyOIVKOOZXLZRNBX-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide

N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide (PubChem CID 112788312) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
PubChem CID112788312
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15-6-4-7-16(2)22(15)19(23)14-26-18-11-9-17(10-12-18)21(3)28(24,25)20-8-5-13-27-20/h5,8-13,15-16H,4,6-7,14H2,1-3H3
InChIKeyOIVKOOZXLZRNBX-UHFFFAOYSA-N
XLogP3.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
CID 56537916
N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
CID 2380780
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
CID 55764371
N-[4-[2-[(2S)-2-[(2R)-2-hydroxypropyl]pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 97086808
ethyl 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-2-carboxylate
CID 55733643
N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
CID 55330191
(2-amino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 8820335
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 55733038
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41113157
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide (CID 112788312) is N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide is CC1CCCC(C)N1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is OIVKOOZXLZRNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-15-6-4-7-16(2)22(15)19(23)14-26-18-11-9-17(10-12-18)21(3)28(24,25)20-8-5-13-27-20/h5,8-13,15-16H,4,6-7,14H2,1-3H3.
What are the key properties of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 422.57 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 112788312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).