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

C18H17ClN2O4S — CID 20996629

IUPACN-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C18H17ClN2O4S/c1-12-11-26(24,25)21(18(12)23)16-8-4-14(5-9-16)17(22)20-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyVCRGIFSJVFQUKL-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.58
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20996629) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20996629
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C18H17ClN2O4S/c1-12-11-26(24,25)21(18(12)23)16-8-4-14(5-9-16)17(22)20-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyVCRGIFSJVFQUKL-UHFFFAOYSA-N
XLogP2.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824193
N-[2-(4-fluorophenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349725
N-butyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006908
2-chloro-N-[(4-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997032
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]butanoic acid
CID 52904428
2-chloro-N-[(4-methoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833586
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26824231
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 110301572
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
N-(4-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824350

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20996629) is N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is VCRGIFSJVFQUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-12-11-26(24,25)21(18(12)23)16-8-4-14(5-9-16)17(22)20-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 392.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20996629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).