phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C16H15NO4S — CID 2578853

IUPACphenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)s1
InChIInChI=1S/C16H15NO4S/c1-11-7-8-14(22-11)16(20)17-9-15(19)21-10-13(18)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyDSFMCRDZCWYRBL-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.21
Rot. Bonds6

About phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2578853) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namephenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2578853
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Namephenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)s1
InChIInChI=1S/C16H15NO4S/c1-11-7-8-14(22-11)16(20)17-9-15(19)21-10-13(18)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyDSFMCRDZCWYRBL-UHFFFAOYSA-N
XLogP2.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate 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 phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2578853) is phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)s1.
What is the InChIKey of phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is DSFMCRDZCWYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-11-7-8-14(22-11)16(20)17-9-15(19)21-10-13(18)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 317.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2578853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).