3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide

C9H14ClN3O4S2 — CID 113409837

IUPAC3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O4S2/c1-17-5-4-11-7(14)2-3-13-19(15,16)8-6-12-9(10)18-8/h6,13H,2-5H2,1H3,(H,11,14)
InChIKeyCJXXDAUWOZXOIY-UHFFFAOYSA-N
MW327.82 g/mol
LogP0.23
Rot. Bonds8

About 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide

3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 113409837) has the molecular formula C9H14ClN3O4S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide
PubChem CID113409837
Molecular FormulaC9H14ClN3O4S2
Molecular Weight327.82 g/mol
Exact Mass327.01
IUPAC Name3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O4S2/c1-17-5-4-11-7(14)2-3-13-19(15,16)8-6-12-9(10)18-8/h6,13H,2-5H2,1H3,(H,11,14)
InChIKeyCJXXDAUWOZXOIY-UHFFFAOYSA-N
XLogP0.23
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide 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-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide
CID 43552871
3-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide
CID 43553616
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propylacetamide
CID 43567486
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 60749592
3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61042691
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
CID 61045778
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046163
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide
CID 61046271
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 61046842
N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide
CID 61047631
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propylpropanamide
CID 61050864
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide
CID 61051108

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide (CID 113409837) is 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is CJXXDAUWOZXOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4S2/c1-17-5-4-11-7(14)2-3-13-19(15,16)8-6-12-9(10)18-8/h6,13H,2-5H2,1H3,(H,11,14).
What are the key properties of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide?
3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 327.82 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113409837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).