N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide

C22H27N3O6S2 — CID 55330191

IUPACN-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H27N3O6S2/c1-23(33(28,29)21-5-3-15-32-21)17-6-8-18(9-7-17)31-16-20(26)24-10-12-25(13-11-24)22(27)19-4-2-14-30-19/h3,5-9,15,19H,2,4,10-14,16H2,1H3
InChIKeyBRQADOQRPSNZJP-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.80
Rot. Bonds7

About N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide

N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide (PubChem CID 55330191) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
PubChem CID55330191
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC NameN-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H27N3O6S2/c1-23(33(28,29)21-5-3-15-32-21)17-6-8-18(9-7-17)31-16-20(26)24-10-12-25(13-11-24)22(27)19-4-2-14-30-19/h3,5-9,15,19H,2,4,10-14,16H2,1H3
InChIKeyBRQADOQRPSNZJP-UHFFFAOYSA-N
XLogP1.80
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide with MolForge

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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-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
CID 56537916
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 112788312
2-(4-ethoxyphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 108536689
N-[4-[2-[(2S)-2-[(2R)-2-hydroxypropyl]pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 97086808
N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
CID 55764371
ethyl 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-2-carboxylate
CID 55733643
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2970302
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
2-(3,4-dimethylphenoxy)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546629
2-(4-chloro-3-methylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 17249879
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide (CID 55330191) is N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide is CN(c1ccc(OCC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide?
The InChIKey is BRQADOQRPSNZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c1-23(33(28,29)21-5-3-15-32-21)17-6-8-18(9-7-17)31-16-20(26)24-10-12-25(13-11-24)22(27)19-4-2-14-30-19/h3,5-9,15,19H,2,4,10-14,16H2,1H3.
What are the key properties of N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide?
N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide has a molecular weight of 493.61 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55330191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).