2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide

C7H7Cl2NOS — CID 50988904

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(Cl)s1
InChIInChI=1S/C7H7Cl2NOS/c8-3-7(11)10-4-5-1-2-6(9)12-5/h1-2H,3-4H2,(H,10,11)
InChIKeyDIJMRXLOJQVOSA-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide (PubChem CID 50988904) has the molecular formula C7H7Cl2NOS and a molecular weight of 224.11 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
PubChem CID50988904
Molecular FormulaC7H7Cl2NOS
Molecular Weight224.11 g/mol
Exact Mass222.96
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(Cl)s1
InChIInChI=1S/C7H7Cl2NOS/c8-3-7(11)10-4-5-1-2-6(9)12-5/h1-2H,3-4H2,(H,10,11)
InChIKeyDIJMRXLOJQVOSA-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
CID 166407428
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
CID 79348989
2-[3-[(5-chlorothiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 138042604
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide
CID 78875952
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide (CID 50988904) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide is O=C(CCl)NCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The InChIKey is DIJMRXLOJQVOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NOS/c8-3-7(11)10-4-5-1-2-6(9)12-5/h1-2H,3-4H2,(H,10,11).
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide has a molecular weight of 224.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 50988904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).