2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide

C17H22N2O3S3 — CID 18144874

IUPAC2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C1CCS(=O)(=O)C1)NCCc1cccs1
InChIInChI=1S/C17H22N2O3S3/c20-17(18-7-5-15-3-1-8-23-15)12-19(11-16-4-2-9-24-16)14-6-10-25(21,22)13-14/h1-4,8-9,14H,5-7,10-13H2,(H,18,20)
InChIKeyVYQOVHZMMTYGRN-UHFFFAOYSA-N
MW398.58 g/mol
LogP2.16
Rot. Bonds8

About 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide

2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 18144874) has the molecular formula C17H22N2O3S3 and a molecular weight of 398.58 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID18144874
Molecular FormulaC17H22N2O3S3
Molecular Weight398.58 g/mol
Exact Mass398.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C1CCS(=O)(=O)C1)NCCc1cccs1
InChIInChI=1S/C17H22N2O3S3/c20-17(18-7-5-15-3-1-8-23-15)12-19(11-16-4-2-9-24-16)14-6-10-25(21,22)13-14/h1-4,8-9,14H,5-7,10-13H2,(H,18,20)
InChIKeyVYQOVHZMMTYGRN-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)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 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 18144874) is 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CN(Cc1cccs1)C1CCS(=O)(=O)C1)NCCc1cccs1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is VYQOVHZMMTYGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S3/c20-17(18-7-5-15-3-1-8-23-15)12-19(11-16-4-2-9-24-16)14-6-10-25(21,22)13-14/h1-4,8-9,14H,5-7,10-13H2,(H,18,20).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 398.58 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 18144874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).