N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide

C20H23N3O5S — CID 44901585

IUPACN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C20H23N3O5S/c1-13-5-8-18(28-3)17(11-13)22-20(25)19(24)21-16-12-15(7-6-14(16)2)23-9-4-10-29(23,26)27/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUFZVWEFEEKBBSM-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.43
Rot. Bonds4

About N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide

N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 44901585) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
PubChem CID44901585
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C20H23N3O5S/c1-13-5-8-18(28-3)17(11-13)22-20(25)19(24)21-16-12-15(7-6-14(16)2)23-9-4-10-29(23,26)27/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUFZVWEFEEKBBSM-UHFFFAOYSA-N
XLogP2.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
methyl 4-[[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 44901589
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29138842
5-chloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 7483243
3-acetamido-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propanamide
CID 110421393
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
CID 30375013
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-methoxy-4-methylbenzamide
CID 55815169

Frequently Asked Questions

What is the IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide (CID 44901585) is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C.
What is the InChIKey of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is UFZVWEFEEKBBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-5-8-18(28-3)17(11-13)22-20(25)19(24)21-16-12-15(7-6-14(16)2)23-9-4-10-29(23,26)27/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 417.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 44901585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).