(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate

C18H16N2O4S2 — CID 2547440

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1cccc(C(=O)OCc2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H16N2O4S2/c1-26(22,23)20-15-9-5-8-14(10-15)18(21)24-12-16-11-19-17(25-16)13-6-3-2-4-7-13/h2-11,20H,12H2,1H3
InChIKeyUUCRXZIUAISUMX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.54
Rot. Bonds6

About (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate

(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate (PubChem CID 2547440) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate
PubChem CID2547440
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1cccc(C(=O)OCc2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H16N2O4S2/c1-26(22,23)20-15-9-5-8-14(10-15)18(21)24-12-16-11-19-17(25-16)13-6-3-2-4-7-13/h2-11,20H,12H2,1H3
InChIKeyUUCRXZIUAISUMX-UHFFFAOYSA-N
XLogP3.54
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamidobenzoate
CID 78760953
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamido-4-methylbenzoate
CID 86826393
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate
CID 78765064
(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate
CID 154750246
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(methanesulfonamido)benzoate
CID 16558838
(4-cyanophenyl)methyl 3-(methanesulfonamido)benzoate
CID 2448191
(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78827542
(2-chloroquinolin-3-yl)methyl 3-(methanesulfonamido)benzoate
CID 16558833
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 42971459
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(methanesulfonamido)benzoate
CID 46567435
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate (CID 2547440) is (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate is CS(=O)(=O)Nc1cccc(C(=O)OCc2cnc(-c3ccccc3)s2)c1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate?
The InChIKey is UUCRXZIUAISUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-26(22,23)20-15-9-5-8-14(10-15)18(21)24-12-16-11-19-17(25-16)13-6-3-2-4-7-13/h2-11,20H,12H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate?
(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate has a molecular weight of 388.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate is sourced from PubChem (CID 2547440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).