N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide

C14H22N2O6S2 — CID 110623026

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H22N2O6S2/c1-21-8-9-22-10-12-23(17,18)15-13-3-5-14(6-4-13)16-7-2-11-24(16,19)20/h3-6,15H,2,7-12H2,1H3
InChIKeyDKQQCOZVDHFDPM-UHFFFAOYSA-N
MW378.47 g/mol
LogP0.63
Rot. Bonds9

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110623026) has the molecular formula C14H22N2O6S2 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110623026
Molecular FormulaC14H22N2O6S2
Molecular Weight378.47 g/mol
Exact Mass378.09
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H22N2O6S2/c1-21-8-9-22-10-12-23(17,18)15-13-3-5-14(6-4-13)16-7-2-11-24(16,19)20/h3-6,15H,2,7-12H2,1H3
InChIKeyDKQQCOZVDHFDPM-UHFFFAOYSA-N
XLogP0.63
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide
CID 110303684
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide
CID 110303603
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyethyl)benzenesulfonamide
CID 7517083
2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
CID 110425621
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144
N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110612793
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7482685
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 7517145
2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
CID 110633307
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55947681
2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide
CID 62677742

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide (CID 110623026) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is DKQQCOZVDHFDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S2/c1-21-8-9-22-10-12-23(17,18)15-13-3-5-14(6-4-13)16-7-2-11-24(16,19)20/h3-6,15H,2,7-12H2,1H3.
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 0.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110623026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).