N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide

C20H33N3O6S2 — CID 21005619

IUPACN-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
SMILESCCN(CC)C(C)(C)CNS(=O)(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1OC
InChIInChI=1S/C20H33N3O6S2/c1-8-22(9-2)20(5,6)13-21-31(27,28)17-12-15(10-11-16(17)29-7)23-18(24)19(3,4)14-30(23,25)26/h10-12,21H,8-9,13-14H2,1-7H3
InChIKeyLZHMZDLICBXLIL-UHFFFAOYSA-N
MW475.63 g/mol
LogP1.80
Rot. Bonds9

About N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide

N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 21005619) has the molecular formula C20H33N3O6S2 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
PubChem CID21005619
Molecular FormulaC20H33N3O6S2
Molecular Weight475.63 g/mol
Exact Mass475.18
IUPAC NameN-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
SMILESCCN(CC)C(C)(C)CNS(=O)(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1OC
InChIInChI=1S/C20H33N3O6S2/c1-8-22(9-2)20(5,6)13-21-31(27,28)17-12-15(10-11-16(17)29-7)23-18(24)19(3,4)14-30(23,25)26/h10-12,21H,8-9,13-14H2,1-7H3
InChIKeyLZHMZDLICBXLIL-UHFFFAOYSA-N
XLogP1.80
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 21005562
5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 21005552
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
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
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-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 21005304
N-(1,3-benzodioxol-5-ylmethyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
CID 21005281
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 21005286
ethyl 4-[[4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]sulfonylamino]benzoate
CID 21005380
2-methoxy-N-propan-2-yl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694392

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide (CID 21005619) is N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide is CCN(CC)C(C)(C)CNS(=O)(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1OC.
What is the InChIKey of N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is LZHMZDLICBXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O6S2/c1-8-22(9-2)20(5,6)13-21-31(27,28)17-12-15(10-11-16(17)29-7)23-18(24)19(3,4)14-30(23,25)26/h10-12,21H,8-9,13-14H2,1-7H3.
What are the key properties of N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide?
N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 475.63 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 21005619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).