N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide

C19H22N2O4S2 — CID 56537916

IUPACN-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
SMILESC=C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C19H22N2O4S2/c1-15-9-11-21(12-10-15)18(22)14-25-17-7-5-16(6-8-17)20(2)27(23,24)19-4-3-13-26-19/h3-8,13H,1,9-12,14H2,2H3
InChIKeyPIKOGXJZQNSASU-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.13
Rot. Bonds6

About N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide

N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide (PubChem CID 56537916) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
PubChem CID56537916
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
SMILESC=C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C19H22N2O4S2/c1-15-9-11-21(12-10-15)18(22)14-25-17-7-5-16(6-8-17)20(2)27(23,24)19-4-3-13-26-19/h3-8,13H,1,9-12,14H2,2H3
InChIKeyPIKOGXJZQNSASU-UHFFFAOYSA-N
XLogP3.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
CID 2380780
N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
CID 55330191
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 112788312
(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-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
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-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358917

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide (CID 56537916) is N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide is C=C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide?
The InChIKey is PIKOGXJZQNSASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-15-9-11-21(12-10-15)18(22)14-25-17-7-5-16(6-8-17)20(2)27(23,24)19-4-3-13-26-19/h3-8,13H,1,9-12,14H2,2H3.
What are the key properties of N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide?
N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide has a molecular weight of 406.53 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56537916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).