2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide

C11H18ClN3O3S2 — CID 61046271

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H18ClN3O3S2/c1-3-5-13-9(16)8-15(6-4-2)20(17,18)10-7-14-11(12)19-10/h7H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyLJMKMAQENMZTFN-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.72
Rot. Bonds8

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide (PubChem CID 61046271) has the molecular formula C11H18ClN3O3S2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide
PubChem CID61046271
Molecular FormulaC11H18ClN3O3S2
Molecular Weight339.87 g/mol
Exact Mass339.05
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H18ClN3O3S2/c1-3-5-13-9(16)8-15(6-4-2)20(17,18)10-7-14-11(12)19-10/h7H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyLJMKMAQENMZTFN-UHFFFAOYSA-N
XLogP1.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(Acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
CID 22245084
N-[2-(5-sulfinamoyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 153588475
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
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
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 43455786
2-chloro-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-sulfonamide
CID 43455790
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
CID 43455967
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43455968

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide (CID 61046271) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide?
The InChIKey is LJMKMAQENMZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S2/c1-3-5-13-9(16)8-15(6-4-2)20(17,18)10-7-14-11(12)19-10/h7H,3-6,8H2,1-2H3,(H,13,16).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide has a molecular weight of 339.87 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 61046271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).