N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide

C7H10ClN3O3S2 — CID 43552871

IUPACN-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H10ClN3O3S2/c1-5(12)9-2-3-11-16(13,14)6-4-10-7(8)15-6/h4,11H,2-3H2,1H3,(H,9,12)
InChIKeyNDKUVURCGLPXDZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.21
Rot. Bonds5

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

N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide (PubChem CID 43552871) has the molecular formula C7H10ClN3O3S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide
PubChem CID43552871
Molecular FormulaC7H10ClN3O3S2
Molecular Weight283.76 g/mol
Exact Mass282.99
IUPAC NameN-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H10ClN3O3S2/c1-5(12)9-2-3-11-16(13,14)6-4-10-7(8)15-6/h4,11H,2-3H2,1H3,(H,9,12)
InChIKeyNDKUVURCGLPXDZ-UHFFFAOYSA-N
XLogP0.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-sulfamoyl-1,3-thiazol-5-yl)acetamide
CID 70573476
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61046141
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
2-Methylaminomethyl-1,3-thiazole-5-sulphonamide
CID 21957438
2-(Acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
CID 22245084
5-Sulfamoyl-1,3-thiazole-2-carboxamide
CID 67218803
N-(1,3-thiazol-5-ylsulfonyl)acetamide
CID 67625045
N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide
CID 140561007
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
Thiazole, 5-acetamido-2-(methylsulfonyl)-
CID 518313
1-[4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
CID 43427516
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide (CID 43552871) is N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is NDKUVURCGLPXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S2/c1-5(12)9-2-3-11-16(13,14)6-4-10-7(8)15-6/h4,11H,2-3H2,1H3,(H,9,12).
What are the key properties of N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide?
N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 283.76 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 43552871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).