ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C14H16N2O5S2 — CID 1147609

IUPACethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C14H16N2O5S2/c1-3-21-13(17)8-10-9-22-14(15-10)16-23(18,19)12-6-4-11(20-2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyUZBKVHNVGKVIBK-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.06
Rot. Bonds7

About ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 1147609) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID1147609
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC Nameethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C14H16N2O5S2/c1-3-21-13(17)8-10-9-22-14(15-10)16-23(18,19)12-6-4-11(20-2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyUZBKVHNVGKVIBK-UHFFFAOYSA-N
XLogP2.06
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
Ethyl [2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 10112220
2-[2-[[2-Methyl-4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546121
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17018949
Ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 2810603
3-(2-{[(4-Methoxyphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)propanoic acid
CID 33679661
N-(4-methylthiazol-2-yl)-2-phenoxyethanesulfonamide
CID 56764848
Ethyl 2-(2-(2-(4-ethylphenoxy)ethylsulfonamido)thiazol-4-yl)acetate
CID 56764892
Methyl 2-[5-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2809822
Ethyl 2-(2-(2-(4-fluorophenoxy)ethylsulfonamido)thiazol-4-yl)acetate
CID 56764878
N-[3-(2-Amino-1,3-thiazol-4-YL)propyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 129619986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 1147609) is ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is UZBKVHNVGKVIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-3-21-13(17)8-10-9-22-14(15-10)16-23(18,19)12-6-4-11(20-2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 356.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1147609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).