N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide

C16H16N2O3S3 — CID 17404791

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1csc(SCC(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)n1
InChIInChI=1S/C16H16N2O3S3/c1-12-9-22-16(17-12)23-10-15(19)18(13-5-3-2-4-6-13)14-7-8-24(20,21)11-14/h2-9,14H,10-11H2,1H3
InChIKeyHHIROYSNZAUCKX-UHFFFAOYSA-N
MW380.52 g/mol
LogP2.89
Rot. Bonds5

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 17404791) has the molecular formula C16H16N2O3S3 and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID17404791
Molecular FormulaC16H16N2O3S3
Molecular Weight380.52 g/mol
Exact Mass380.03
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1csc(SCC(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)n1
InChIInChI=1S/C16H16N2O3S3/c1-12-9-22-16(17-12)23-10-15(19)18(13-5-3-2-4-6-13)14-7-8-24(20,21)11-14/h2-9,14H,10-11H2,1H3
InChIKeyHHIROYSNZAUCKX-UHFFFAOYSA-N
XLogP2.89
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide (CID 17404791) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide is Cc1csc(SCC(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is HHIROYSNZAUCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S3/c1-12-9-22-16(17-12)23-10-15(19)18(13-5-3-2-4-6-13)14-7-8-24(20,21)11-14/h2-9,14H,10-11H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 380.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 17404791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).