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

C20H31N3O4S — CID 21007093

IUPACN-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(CC)C(C)(C)CNC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1
InChIInChI=1S/C20H31N3O4S/c1-7-22(8-2)20(5,6)13-21-17(24)15-9-11-16(12-10-15)23-18(25)19(3,4)14-28(23,26)27/h9-12H,7-8,13-14H2,1-6H3,(H,21,24)
InChIKeyFXSAIBDHMTWSFW-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.24
Rot. Bonds7

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

N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007093) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007093
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(CC)C(C)(C)CNC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1
InChIInChI=1S/C20H31N3O4S/c1-7-22(8-2)20(5,6)13-21-17(24)15-9-11-16(12-10-15)23-18(25)19(3,4)14-28(23,26)27/h9-12H,7-8,13-14H2,1-6H3,(H,21,24)
InChIKeyFXSAIBDHMTWSFW-UHFFFAOYSA-N
XLogP2.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007103
N-[2-(diethylamino)-2-methylpropyl]-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
CID 21005619
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 21007023
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-methylphenyl)benzamide
CID 20996818
N-(3,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996826
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-methylbutyl)benzamide
CID 21007459
N-(2,4-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007063
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-pentylbenzamide
CID 21007460
N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007441
N-(1,3-benzodioxol-5-ylmethyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997225
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 20997281
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 20997236

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007093) is N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CCN(CC)C(C)(C)CNC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is FXSAIBDHMTWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-7-22(8-2)20(5,6)13-21-17(24)15-9-11-16(12-10-15)23-18(25)19(3,4)14-28(23,26)27/h9-12H,7-8,13-14H2,1-6H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 409.55 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-methylpropyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).