methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate

C14H16N2O5S2 — CID 2809824

IUPACmethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NS(=O)(=O)c2ccc(OC)cc2)sc1C
InChIInChI=1S/C14H16N2O5S2/c1-9-12(8-13(17)21-3)15-14(22-9)16-23(18,19)11-6-4-10(20-2)5-7-11/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyRLJAWADXFUFSCR-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.98
Rot. Bonds6

About methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate (PubChem CID 2809824) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate
PubChem CID2809824
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC Namemethyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NS(=O)(=O)c2ccc(OC)cc2)sc1C
InChIInChI=1S/C14H16N2O5S2/c1-9-12(8-13(17)21-3)15-14(22-9)16-23(18,19)11-6-4-10(20-2)5-7-11/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyRLJAWADXFUFSCR-UHFFFAOYSA-N
XLogP1.98
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate
CID 86594954
2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545585
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 750627
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate (CID 2809824) is methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate is COC(=O)Cc1nc(NS(=O)(=O)c2ccc(OC)cc2)sc1C.
What is the InChIKey of methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate?
The InChIKey is RLJAWADXFUFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-9-12(8-13(17)21-3)15-14(22-9)16-23(18,19)11-6-4-10(20-2)5-7-11/h4-7H,8H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate has a molecular weight of 356.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2809824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).