2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide

C21H28N2OS2 — CID 4117751

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NC(C)C(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C21H28N2OS2/c1-15-8-9-16(2)19(13-15)26-14-20(24)22-17(3)21(18-7-6-12-25-18)23-10-4-5-11-23/h6-9,12-13,17,21H,4-5,10-11,14H2,1-3H3,(H,22,24)
InChIKeyCHZRUARDNGCBKD-UHFFFAOYSA-N
MW388.60 g/mol
LogP4.80
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 4117751) has the molecular formula C21H28N2OS2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID4117751
Molecular FormulaC21H28N2OS2
Molecular Weight388.60 g/mol
Exact Mass388.16
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NC(C)C(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C21H28N2OS2/c1-15-8-9-16(2)19(13-15)26-14-20(24)22-17(3)21(18-7-6-12-25-18)23-10-4-5-11-23/h6-9,12-13,17,21H,4-5,10-11,14H2,1-3H3,(H,22,24)
InChIKeyCHZRUARDNGCBKD-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)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-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide (CID 4117751) is 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide is Cc1ccc(C)c(SCC(=O)NC(C)C(c2cccs2)N2CCCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is CHZRUARDNGCBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS2/c1-15-8-9-16(2)19(13-15)26-14-20(24)22-17(3)21(18-7-6-12-25-18)23-10-4-5-11-23/h6-9,12-13,17,21H,4-5,10-11,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 388.60 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 4117751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).