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

C18H17N3O3S — CID 2000798

IUPACN-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-5-3-4-6-15(11)21-17(23)16(25-18(21)24)20-14-9-7-13(8-10-14)19-12(2)22/h3-10,16,20H,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyAEKCWNCNQDREFL-MRXNPFEDSA-N
MW355.42 g/mol
LogP3.59
Rot. Bonds4

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

N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide (PubChem CID 2000798) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide
PubChem CID2000798
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-5-3-4-6-15(11)21-17(23)16(25-18(21)24)20-14-9-7-13(8-10-14)19-12(2)22/h3-10,16,20H,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyAEKCWNCNQDREFL-MRXNPFEDSA-N
XLogP3.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione
CID 4735951
N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide
CID 4736011
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4314557
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446267
5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446219
ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate
CID 2850048
4-[[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 3446167
4-[[(5R)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 1380331
(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7345725
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
N-[4-[1-(2-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563681

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide (CID 2000798) is N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1.
What is the InChIKey of N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide?
The InChIKey is AEKCWNCNQDREFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-5-3-4-6-15(11)21-17(23)16(25-18(21)24)20-14-9-7-13(8-10-14)19-12(2)22/h3-10,16,20H,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide?
N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 2000798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).