2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide

C19H19N3O3S — CID 7362246

IUPAC2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
SMILESCc1cccc(N2C(=O)S[C@@H](N(CC(N)=O)c3ccccc3C)C2=O)c1
InChIInChI=1S/C19H19N3O3S/c1-12-6-5-8-14(10-12)22-17(24)18(26-19(22)25)21(11-16(20)23)15-9-4-3-7-13(15)2/h3-10,18H,11H2,1-2H3,(H2,20,23)/t18-/m1/s1
InChIKeyQPWDSXYLEVFLOX-GOSISDBHSA-N
MW369.45 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide

2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide (PubChem CID 7362246) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
PubChem CID7362246
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
SMILESCc1cccc(N2C(=O)S[C@@H](N(CC(N)=O)c3ccccc3C)C2=O)c1
InChIInChI=1S/C19H19N3O3S/c1-12-6-5-8-14(10-12)22-17(24)18(26-19(22)25)21(11-16(20)23)15-9-4-3-7-13(15)2/h3-10,18H,11H2,1-2H3,(H2,20,23)/t18-/m1/s1
InChIKeyQPWDSXYLEVFLOX-GOSISDBHSA-N
XLogP2.82
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
CID 1425019
N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 1222519
2-(3-methyl-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid
CID 7045484
N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 27266587
5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 4620974
(5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7319989
3-[[(5S)-5-(N-(2-amino-2-oxoethyl)-4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
CID 6975263
(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 2013805
5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 16643922
3-[[5-(N-(2-amino-2-oxoethyl)anilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 4162031
5-(4-butylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 5193553
[(3S,4R)-4-benzoyloxy-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126313618

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
The IUPAC name of 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide (CID 7362246) is 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide.
What is the SMILES notation for 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
The canonical SMILES for 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide is Cc1cccc(N2C(=O)S[C@@H](N(CC(N)=O)c3ccccc3C)C2=O)c1.
What is the InChIKey of 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
The InChIKey is QPWDSXYLEVFLOX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-6-5-8-14(10-12)22-17(24)18(26-19(22)25)21(11-16(20)23)15-9-4-3-7-13(15)2/h3-10,18H,11H2,1-2H3,(H2,20,23)/t18-/m1/s1.
What are the key properties of 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide?
2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide is sourced from PubChem (CID 7362246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).