4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C20H20N2O4S2 — CID 7295291

IUPAC4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-4-28(24,25)17-11-7-15(8-12-17)19(23)22-20-21-18(13(2)27-20)14-5-9-16(26-3)10-6-14/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyLXMTUBVZQGUFLG-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.17
Rot. Bonds6

About 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 7295291) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID7295291
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-4-28(24,25)17-11-7-15(8-12-17)19(23)22-20-21-18(13(2)27-20)14-5-9-16(26-3)10-6-14/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyLXMTUBVZQGUFLG-UHFFFAOYSA-N
XLogP4.17
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 7295291) is 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is LXMTUBVZQGUFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-4-28(24,25)17-11-7-15(8-12-17)19(23)22-20-21-18(13(2)27-20)14-5-9-16(26-3)10-6-14/h5-12H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 7295291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).