2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C15H21ClN4O2S — CID 31014957

IUPAC2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H21ClN4O2S/c1-2-5-17-15(22)18-14(21)11-20-8-6-19(7-9-20)10-12-3-4-13(16)23-12/h2-4H,1,5-11H2,(H2,17,18,21,22)
InChIKeyNAUATQBBQSGZGI-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 31014957) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID31014957
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H21ClN4O2S/c1-2-5-17-15(22)18-14(21)11-20-8-6-19(7-9-20)10-12-3-4-13(16)23-12/h2-4H,1,5-11H2,(H2,17,18,21,22)
InChIKeyNAUATQBBQSGZGI-UHFFFAOYSA-N
XLogP1.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)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-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 31014957) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is NAUATQBBQSGZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2S/c1-2-5-17-15(22)18-14(21)11-20-8-6-19(7-9-20)10-12-3-4-13(16)23-12/h2-4H,1,5-11H2,(H2,17,18,21,22).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 356.88 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 31014957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).