N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide

C15H16ClNOS — CID 139604588

IUPACN-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC(CCl)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16ClNOS/c1-11(10-16)12-4-6-13(7-5-12)17-15(18)9-14-3-2-8-19-14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeySHCOQMYWSYWNCK-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.27
Rot. Bonds5

About N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 139604588) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID139604588
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC NameN-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC(CCl)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16ClNOS/c1-11(10-16)12-4-6-13(7-5-12)17-15(18)9-14-3-2-8-19-14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeySHCOQMYWSYWNCK-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide 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-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 139604588) is N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide is CC(CCl)c1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is SHCOQMYWSYWNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-11(10-16)12-4-6-13(7-5-12)17-15(18)9-14-3-2-8-19-14/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 293.82 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 139604588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).