ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate

C16H20N2O4S2 — CID 47959412

IUPACethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2csc(CC)n2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-15-17-13(11-23-15)10-18(3)24(20,21)14-8-6-12(7-9-14)16(19)22-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyRKLGCLWZGFMROF-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds7

About ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate

ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate (PubChem CID 47959412) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate
PubChem CID47959412
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Nameethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2csc(CC)n2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-15-17-13(11-23-15)10-18(3)24(20,21)14-8-6-12(7-9-14)16(19)22-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyRKLGCLWZGFMROF-UHFFFAOYSA-N
XLogP2.70
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 47051600
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 47959380
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
(2-ethyl-1,3-thiazol-4-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 35454192
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
(2-ethyl-1,3-thiazol-4-yl)methyl 4-nitrobenzoate
CID 18165720
ethyl 4-[azetidin-3-yl(methyl)sulfamoyl]benzoate
CID 66185248
ethyl 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]benzoate
CID 75443991
ethyl 2-[[(4-methylphenyl)sulfonyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 42767658
4-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]ethyl]benzenesulfonamide
CID 47020602
ethyl 2-[[(4-chlorophenyl)sulfonyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198361

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate (CID 47959412) is ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2csc(CC)n2)cc1.
What is the InChIKey of ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate?
The InChIKey is RKLGCLWZGFMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-4-15-17-13(11-23-15)10-18(3)24(20,21)14-8-6-12(7-9-14)16(19)22-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate?
ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate has a molecular weight of 368.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate is sourced from PubChem (CID 47959412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).