2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

C18H22N4O3S2 — CID 16898553

IUPAC2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NC(C)C)cs2)c1
InChIInChI=1S/C18H22N4O3S2/c1-11(2)19-16(24)8-15-9-26-18(22-15)27-10-17(25)21-14-6-4-5-13(7-14)20-12(3)23/h4-7,9,11H,8,10H2,1-3H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyWQBCETPRMUTVDP-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.90
Rot. Bonds8

About 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 16898553) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
PubChem CID16898553
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NC(C)C)cs2)c1
InChIInChI=1S/C18H22N4O3S2/c1-11(2)19-16(24)8-15-9-26-18(22-15)27-10-17(25)21-14-6-4-5-13(7-14)20-12(3)23/h4-7,9,11H,8,10H2,1-3H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyWQBCETPRMUTVDP-UHFFFAOYSA-N
XLogP2.90
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide 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-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 40843139
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-acetylphenyl)acetamide
CID 16898611
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 16898623
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16898640
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 16898885
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-ethoxyphenyl)acetamide
CID 16898607
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 16898576
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16898642
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-bromophenyl)acetamide
CID 16898741
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 16898772
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 16899433

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (CID 16898553) is 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NC(C)C)cs2)c1.
What is the InChIKey of 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is WQBCETPRMUTVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-11(2)19-16(24)8-15-9-26-18(22-15)27-10-17(25)21-14-6-4-5-13(7-14)20-12(3)23/h4-7,9,11H,8,10H2,1-3H3,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 406.53 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 16898553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).