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

C19H18N2O4S2 — CID 2110219

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-14-7-9-17(10-8-14)27(23,24)20-11-18(22)25-12-16-13-26-19(21-16)15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3
InChIKeyKLIWGRRCWNWNMM-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.14
Rot. Bonds7

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2110219) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2110219
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-14-7-9-17(10-8-14)27(23,24)20-11-18(22)25-12-16-13-26-19(21-16)15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3
InChIKeyKLIWGRRCWNWNMM-UHFFFAOYSA-N
XLogP3.14
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 829818
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3a
CID 57340181
4-{4-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
CID 9356437
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-(methylsulfamoyl)benzoate
CID 2386763
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 2421412
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate
CID 2467851
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(benzenesulfonamido)propanoate
CID 16281361
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 24981080
Ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
CID 73505245
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2500386
[2-[2-(4-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16278513
4-[4-(2-Benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 17470518

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2110219) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is KLIWGRRCWNWNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-14-7-9-17(10-8-14)27(23,24)20-11-18(22)25-12-16-13-26-19(21-16)15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 402.50 g/mol, XLogP of 3.14, 7 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-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2110219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).