5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide

C22H28N2O6S2 — CID 21005585

IUPAC5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C22H28N2O6S2/c1-14(2)17-9-7-8-15(3)20(17)23-32(28,29)19-12-16(10-11-18(19)30-6)24-21(25)22(4,5)13-31(24,26)27/h7-12,14,23H,13H2,1-6H3
InChIKeyMRXRYUKWHZTMOA-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.63
Rot. Bonds6

About 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide

5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 21005585) has the molecular formula C22H28N2O6S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
PubChem CID21005585
Molecular FormulaC22H28N2O6S2
Molecular Weight480.61 g/mol
Exact Mass480.14
IUPAC Name5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C22H28N2O6S2/c1-14(2)17-9-7-8-15(3)20(17)23-32(28,29)19-12-16(10-11-18(19)30-6)24-21(25)22(4,5)13-31(24,26)27/h7-12,14,23H,13H2,1-6H3
InChIKeyMRXRYUKWHZTMOA-UHFFFAOYSA-N
XLogP3.63
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 21005568
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 20997286
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 21005316
5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 21005552
N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
CID 21005619
5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 21005562
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
CID 21005618
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-4-methoxyphenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 21005559
4-[5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]sulfonylpiperazine-1-carbaldehyde
CID 21005548
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
N-(3,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004992
N-(2,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
CID 21005321

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide (CID 21005585) is 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide is COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is MRXRYUKWHZTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S2/c1-14(2)17-9-7-8-15(3)20(17)23-32(28,29)19-12-16(10-11-18(19)30-6)24-21(25)22(4,5)13-31(24,26)27/h7-12,14,23H,13H2,1-6H3.
What are the key properties of 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 480.61 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 21005585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).