N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide

C13H20N2O5S2 — CID 110303684

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O5S2/c1-11-10-12(14-21(16,17)9-7-20-2)4-5-13(11)15-6-3-8-22(15,18)19/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyXZKHYJCJAOMQIF-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.92
Rot. Bonds6

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide (PubChem CID 110303684) has the molecular formula C13H20N2O5S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide
PubChem CID110303684
Molecular FormulaC13H20N2O5S2
Molecular Weight348.45 g/mol
Exact Mass348.08
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O5S2/c1-11-10-12(14-21(16,17)9-7-20-2)4-5-13(11)15-6-3-8-22(15,18)19/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyXZKHYJCJAOMQIF-UHFFFAOYSA-N
XLogP0.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide
CID 110303603
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
CID 16642516
2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636371
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
CID 82084355
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
CID 110303556
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-sulfonamide
CID 112505840

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide (CID 110303684) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide?
The InChIKey is XZKHYJCJAOMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2/c1-11-10-12(14-21(16,17)9-7-20-2)4-5-13(11)15-6-3-8-22(15,18)19/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 110303684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).