methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C13H14N2O4S2 — CID 43624510

IUPACmethyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H14N2O4S2/c1-9-3-5-11(6-4-9)21(17,18)15-13-14-10(8-20-13)7-12(16)19-2/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyHEQJBORUMRHBOS-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 43624510) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID43624510
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Namemethyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H14N2O4S2/c1-9-3-5-11(6-4-9)21(17,18)15-13-14-10(8-20-13)7-12(16)19-2/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyHEQJBORUMRHBOS-UHFFFAOYSA-N
XLogP1.97
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624485
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 16827164
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 43624510) is methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is HEQJBORUMRHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9-3-5-11(6-4-9)21(17,18)15-13-14-10(8-20-13)7-12(16)19-2/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 326.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43624510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).