N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide

C18H18N2O4S — CID 20996678

IUPACN-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)N(C)c3ccccc3)cc2)C1=O
InChIInChI=1S/C18H18N2O4S/c1-13-12-25(23,24)20(17(13)21)16-10-8-14(9-11-16)18(22)19(2)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeySLSSOBYZDGMZQH-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.28
Rot. Bonds3

About N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide

N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide (PubChem CID 20996678) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
PubChem CID20996678
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)N(C)c3ccccc3)cc2)C1=O
InChIInChI=1S/C18H18N2O4S/c1-13-12-25(23,24)20(17(13)21)16-10-8-14(9-11-16)18(22)19(2)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeySLSSOBYZDGMZQH-UHFFFAOYSA-N
XLogP2.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824199
N-benzyl-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-propan-2-ylbenzamide
CID 26824275
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
N-butyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006908
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylbenzamide
CID 4673801
N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391
N-(4-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824350
3-[[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzoic acid
CID 28811757
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one
CID 82092283
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 110301572

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
The IUPAC name of N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide (CID 20996678) is N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)N(C)c3ccccc3)cc2)C1=O.
What is the InChIKey of N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
The InChIKey is SLSSOBYZDGMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-13-12-25(23,24)20(17(13)21)16-10-8-14(9-11-16)18(22)19(2)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3.
What are the key properties of N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide has a molecular weight of 358.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 20996678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).