N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide

C20H20FN3O3S — CID 135706403

IUPACN-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H20FN3O3S/c1-12-8-13(2)10-17(9-12)23-18(25)11-22-20-14(3)19(28(26,27)24-20)15-4-6-16(21)7-5-15/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHWLQXYKEZXPLQU-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.14
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide

N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide (PubChem CID 135706403) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
PubChem CID135706403
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC NameN-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H20FN3O3S/c1-12-8-13(2)10-17(9-12)23-18(25)11-22-20-14(3)19(28(26,27)24-20)15-4-6-16(21)7-5-15/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHWLQXYKEZXPLQU-UHFFFAOYSA-N
XLogP3.14
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]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

2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 135706405
5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
CID 135735929
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 135597540
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 135597541
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 135706509
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735938
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide (CID 135706403) is N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide is CC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
The InChIKey is HWLQXYKEZXPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-12-8-13(2)10-17(9-12)23-18(25)11-22-20-14(3)19(28(26,27)24-20)15-4-6-16(21)7-5-15/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide?
N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide is sourced from PubChem (CID 135706403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).