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

C20H22N2O4S — CID 26824199

IUPACN-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-21(13-16-7-5-4-6-8-16)20(24)17-9-11-18(12-10-17)22-19(23)15(2)14-27(22,25)26/h4-12,15H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyCVHMFUDFMKVSKY-HNNXBMFYSA-N
MW386.47 g/mol
LogP2.66
Rot. Bonds5

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

N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (PubChem CID 26824199) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
PubChem CID26824199
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-21(13-16-7-5-4-6-8-16)20(24)17-9-11-18(12-10-17)22-19(23)15(2)14-27(22,25)26/h4-12,15H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyCVHMFUDFMKVSKY-HNNXBMFYSA-N
XLogP2.66
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide with MolForge

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Related Compounds

N-benzyl-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-propan-2-ylbenzamide
CID 26824275
N-[(4-chlorophenyl)methyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824193
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]butanoic acid
CID 52904428
N-[2-(4-fluorophenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349725
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682928
ethyl 4-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperazine-1-carboxylate
CID 26824250
N-benzyl-2-ethoxy-N-methyl-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005782
N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824321
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The IUPAC name of N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (CID 26824199) is N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The InChIKey is CVHMFUDFMKVSKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-21(13-16-7-5-4-6-8-16)20(24)17-9-11-18(12-10-17)22-19(23)15(2)14-27(22,25)26/h4-12,15H,3,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide has a molecular weight of 386.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 26824199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).