N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide

C19H21N3O5S — CID 55815050

IUPACN-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O
InChIInChI=1S/C19H21N3O5S/c1-13-5-2-3-6-15(13)19(25)20-12-18(24)21-16-11-14(7-8-17(16)23)22-9-4-10-28(22,26)27/h2-3,5-8,11,23H,4,9-10,12H2,1H3,(H,20,25)(H,21,24)
InChIKeyQCTURWSIDKFJKN-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.61
Rot. Bonds5

About N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide

N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 55815050) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide
PubChem CID55815050
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O
InChIInChI=1S/C19H21N3O5S/c1-13-5-2-3-6-15(13)19(25)20-12-18(24)21-16-11-14(7-8-17(16)23)22-9-4-10-28(22,26)27/h2-3,5-8,11,23H,4,9-10,12H2,1H3,(H,20,25)(H,21,24)
InChIKeyQCTURWSIDKFJKN-UHFFFAOYSA-N
XLogP1.61
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
CID 47049367
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(3-methylphenyl)propanamide
CID 55932837
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 9488235
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55934242
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 55815176
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-iodobenzamide
CID 55815207
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 119440347
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoic acid
CID 63653009

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide (CID 55815050) is N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O.
What is the InChIKey of N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is QCTURWSIDKFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-13-5-2-3-6-15(13)19(25)20-12-18(24)21-16-11-14(7-8-17(16)23)22-9-4-10-28(22,26)27/h2-3,5-8,11,23H,4,9-10,12H2,1H3,(H,20,25)(H,21,24).
What are the key properties of N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 55815050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).