N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C16H24N2O6S2 — CID 21005759

IUPACN-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)NC(C)CC
InChIInChI=1S/C16H24N2O6S2/c1-5-12(4)17-26(22,23)15-9-13(7-8-14(15)24-6-2)18-16(19)11(3)10-25(18,20)21/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyVKUJYQDLEIFJKN-UHFFFAOYSA-N
MW404.51 g/mol
LogP1.47
Rot. Bonds7

About N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21005759) has the molecular formula C16H24N2O6S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21005759
Molecular FormulaC16H24N2O6S2
Molecular Weight404.51 g/mol
Exact Mass404.11
IUPAC NameN-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)NC(C)CC
InChIInChI=1S/C16H24N2O6S2/c1-5-12(4)17-26(22,23)15-9-13(7-8-14(15)24-6-2)18-16(19)11(3)10-25(18,20)21/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyVKUJYQDLEIFJKN-UHFFFAOYSA-N
XLogP1.47
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21005844
2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005780
N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005889
N-[2-(4-chlorophenyl)ethyl]-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005803
N-[3-[[2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 21005877
N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 46307101
N-benzyl-2-ethoxy-N-methyl-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005782
N-(2-ethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694695
N-methoxy-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110421080
N-[2-(4-chlorophenyl)ethyl]-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005442
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
ethyl (3R)-1-[2-methoxy-5-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-3-carboxylate
CID 51690817

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21005759) is N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is VKUJYQDLEIFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S2/c1-5-12(4)17-26(22,23)15-9-13(7-8-14(15)24-6-2)18-16(19)11(3)10-25(18,20)21/h7-9,11-12,17H,5-6,10H2,1-4H3.
What are the key properties of N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 404.51 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21005759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).