N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide

C18H16ClN3O3S — CID 46271308

IUPACN-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=NS(=O)(=O)C(c3ccc(Cl)cc3)=C2C)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-11-17(13-3-5-14(19)6-4-13)26(24,25)22-18(11)21-16-9-7-15(8-10-16)20-12(2)23/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyKISQMEIXQBXENH-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.88
Rot. Bonds3

About N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide

N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide (PubChem CID 46271308) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide
PubChem CID46271308
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=NS(=O)(=O)C(c3ccc(Cl)cc3)=C2C)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-11-17(13-3-5-14(19)6-4-13)26(24,25)22-18(11)21-16-9-7-15(8-10-16)20-12(2)23/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyKISQMEIXQBXENH-UHFFFAOYSA-N
XLogP3.88
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-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

5-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
CID 22512043
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine
CID 22512499
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-amine
CID 22512462
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine
CID 22512556
N-(4-methylphenyl)acetamide
CID 7684
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421663

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide (CID 46271308) is N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2=NS(=O)(=O)C(c3ccc(Cl)cc3)=C2C)cc1.
What is the InChIKey of N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide?
The InChIKey is KISQMEIXQBXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-11-17(13-3-5-14(19)6-4-13)26(24,25)22-18(11)21-16-9-7-15(8-10-16)20-12(2)23/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide?
N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide has a molecular weight of 389.86 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 46271308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).