N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide

C18H20N2O4S — CID 7627594

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O4S/c1-13-6-3-4-7-15(13)18(21)19-16-9-8-14(12-17(16)24-2)20-10-5-11-25(20,22)23/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21)
InChIKeyTYWGVPGMRFSUER-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.80
Rot. Bonds4

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide (PubChem CID 7627594) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
PubChem CID7627594
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O4S/c1-13-6-3-4-7-15(13)18(21)19-16-9-8-14(12-17(16)24-2)20-10-5-11-25(20,22)23/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21)
InChIKeyTYWGVPGMRFSUER-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4,5-dimethoxy-2-nitrobenzamide
CID 43955577
phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627629
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-5-nitrobenzamide
CID 43955576
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-methyl-3-nitrobenzamide
CID 7482937
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-ethoxybenzamide
CID 7483175
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 43955579
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 7482945

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide (CID 7627594) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide is COc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1ccccc1C.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide?
The InChIKey is TYWGVPGMRFSUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-6-3-4-7-15(13)18(21)19-16-9-8-14(12-17(16)24-2)20-10-5-11-25(20,22)23/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 7627594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).