2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide

C10H16ClN3O4S2 — CID 61046842

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3O4S2/c1-14(7-8(15)12-4-3-5-18-2)20(16,17)9-6-13-10(11)19-9/h6H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyUTECRDXATJLHOI-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.57
Rot. Bonds8

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 61046842) has the molecular formula C10H16ClN3O4S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID61046842
Molecular FormulaC10H16ClN3O4S2
Molecular Weight341.84 g/mol
Exact Mass341.03
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3O4S2/c1-14(7-8(15)12-4-3-5-18-2)20(16,17)9-6-13-10(11)19-9/h6H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyUTECRDXATJLHOI-UHFFFAOYSA-N
XLogP0.57
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
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]-N-methylacetamide
CID 43455967
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43455968
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 43455975
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
CID 43455976
N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide
CID 43552871
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-ethylacetamide
CID 43567062
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propylacetamide
CID 43567486
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 54941729

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide (CID 61046842) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is UTECRDXATJLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S2/c1-14(7-8(15)12-4-3-5-18-2)20(16,17)9-6-13-10(11)19-9/h6H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 341.84 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61046842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).