4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide

C17H18N2O4S2 — CID 121123866

IUPAC4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2sc(-c3ccco3)nc2C)cc1
InChIInChI=1S/C17H18N2O4S2/c1-3-22-13-6-8-14(9-7-13)25(20,21)18-11-16-12(2)19-17(24-16)15-5-4-10-23-15/h4-10,18H,3,11H2,1-2H3
InChIKeyVKBLXEXKUBKZFI-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.59
Rot. Bonds7

About 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide

4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 121123866) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide
PubChem CID121123866
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2sc(-c3ccco3)nc2C)cc1
InChIInChI=1S/C17H18N2O4S2/c1-3-22-13-6-8-14(9-7-13)25(20,21)18-11-16-12(2)19-17(24-16)15-5-4-10-23-15/h4-10,18H,3,11H2,1-2H3
InChIKeyVKBLXEXKUBKZFI-UHFFFAOYSA-N
XLogP3.59
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123854
4-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 121123906
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121123889
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide
CID 121123926
4-butoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121906
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclohexanesulfonamide
CID 121123943
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 121123362
4-butoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122432
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268
1-(2-ethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123829

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide (CID 121123866) is 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2sc(-c3ccco3)nc2C)cc1.
What is the InChIKey of 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is VKBLXEXKUBKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-3-22-13-6-8-14(9-7-13)25(20,21)18-11-16-12(2)19-17(24-16)15-5-4-10-23-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121123866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).