N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide

C16H17NO5S2 — CID 55758087

IUPACN-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H17NO5S2/c1-3-14(18)12-5-7-13(8-6-12)22-10-15(19)17-24(20,21)16-9-4-11(2)23-16/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyQJTUXFXITAIYFB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.53
Rot. Bonds7

About N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide

N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide (PubChem CID 55758087) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide
PubChem CID55758087
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC NameN-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H17NO5S2/c1-3-14(18)12-5-7-13(8-6-12)22-10-15(19)17-24(20,21)16-9-4-11(2)23-16/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyQJTUXFXITAIYFB-UHFFFAOYSA-N
XLogP2.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide 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-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide (CID 55758087) is N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)s2)cc1.
What is the InChIKey of N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide?
The InChIKey is QJTUXFXITAIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c1-3-14(18)12-5-7-13(8-6-12)22-10-15(19)17-24(20,21)16-9-4-11(2)23-16/h4-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide?
N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiophen-2-yl)sulfonyl-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 55758087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).