4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide

C19H23N3O5S2 — CID 55947681

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1C
InChIInChI=1S/C19H23N3O5S2/c1-3-28(24,25)21-18-10-7-16(13-14(18)2)20-19(23)15-5-8-17(9-6-15)22-11-4-12-29(22,26)27/h5-10,13,21H,3-4,11-12H2,1-2H3,(H,20,23)
InChIKeyYEHNXSBQLWKXJE-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.55
Rot. Bonds6

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (PubChem CID 55947681) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
PubChem CID55947681
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1C
InChIInChI=1S/C19H23N3O5S2/c1-3-28(24,25)21-18-10-7-16(13-14(18)2)20-19(23)15-5-8-17(9-6-15)22-11-4-12-29(22,26)27/h5-10,13,21H,3-4,11-12H2,1-2H3,(H,20,23)
InChIKeyYEHNXSBQLWKXJE-UHFFFAOYSA-N
XLogP2.55
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (CID 55947681) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1C.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The InChIKey is YEHNXSBQLWKXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-3-28(24,25)21-18-10-7-16(13-14(18)2)20-19(23)15-5-8-17(9-6-15)22-11-4-12-29(22,26)27/h5-10,13,21H,3-4,11-12H2,1-2H3,(H,20,23).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is sourced from PubChem (CID 55947681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).