N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

C18H20N2O5S2 — CID 20936314

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1OC
InChIInChI=1S/C18H20N2O5S2/c1-4-24-14-6-5-13(10-15(14)23-3)11-19-27(21,22)18-8-7-17(26-18)16-9-12(2)20-25-16/h5-10,19H,4,11H2,1-3H3
InChIKeyNBCKCNYPFPPAAF-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.60
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 20936314) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID20936314
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1OC
InChIInChI=1S/C18H20N2O5S2/c1-4-24-14-6-5-13(10-15(14)23-3)11-19-27(21,22)18-8-7-17(26-18)16-9-12(2)20-25-16/h5-10,19H,4,11H2,1-3H3
InChIKeyNBCKCNYPFPPAAF-UHFFFAOYSA-N
XLogP3.60
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 20936312
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
5-(6-methoxy-3-pyridinyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiophene-2-sulfonamide
CID 171908747
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947504
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 20936314) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is NBCKCNYPFPPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-4-24-14-6-5-13(10-15(14)23-3)11-19-27(21,22)18-8-7-17(26-18)16-9-12(2)20-25-16/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 408.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).