4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide

C17H16N2O4S2 — CID 113225231

IUPAC4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O4S2/c1-12-16(24-17(20)18-12)25(21,22)19-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyMFQYUDQIHKPNOU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.12
Rot. Bonds6

About 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 113225231) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID113225231
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O4S2/c1-12-16(24-17(20)18-12)25(21,22)19-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyMFQYUDQIHKPNOU-UHFFFAOYSA-N
XLogP3.12
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716003
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 17375979
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
6-chloro-N-(4-phenylmethoxyphenyl)pyridine-3-sulfonamide
CID 26951357
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide (CID 113225231) is 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MFQYUDQIHKPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-12-16(24-17(20)18-12)25(21,22)19-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,18,20).
What are the key properties of 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113225231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).