N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide

C15H21N3O4S — CID 42356079

IUPACN-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCN(C)C)cc2)C1=O
InChIInChI=1S/C15H21N3O4S/c1-11-10-23(21,22)18(15(11)20)13-6-4-12(5-7-13)14(19)16-8-9-17(2)3/h4-7,11H,8-10H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyILOGSTFMBQSZDN-NSHDSACASA-N
MW339.42 g/mol
LogP0.29
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (PubChem CID 42356079) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
PubChem CID42356079
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCN(C)C)cc2)C1=O
InChIInChI=1S/C15H21N3O4S/c1-11-10-23(21,22)18(15(11)20)13-6-4-12(5-7-13)14(19)16-8-9-17(2)3/h4-7,11H,8-10H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyILOGSTFMBQSZDN-NSHDSACASA-N
XLogP0.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (CID 42356079) is N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCN(C)C)cc2)C1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The InChIKey is ILOGSTFMBQSZDN-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-10-23(21,22)18(15(11)20)13-6-4-12(5-7-13)14(19)16-8-9-17(2)3/h4-7,11H,8-10H2,1-3H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 42356079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).