3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C18H17N3O3S2 — CID 1164270

IUPAC3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C
InChIInChI=1S/C18H17N3O3S2/c1-12-3-4-14(11-13(12)2)17(22)20-15-5-7-16(8-6-15)26(23,24)21-18-19-9-10-25-18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUKLUCDQNNXQNAF-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.81
Rot. Bonds5

About 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1164270) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1164270
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C
InChIInChI=1S/C18H17N3O3S2/c1-12-3-4-14(11-13(12)2)17(22)20-15-5-7-16(8-6-15)26(23,24)21-18-19-9-10-25-18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUKLUCDQNNXQNAF-UHFFFAOYSA-N
XLogP3.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 1164270) is 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is UKLUCDQNNXQNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12-3-4-14(11-13(12)2)17(22)20-15-5-7-16(8-6-15)26(23,24)21-18-19-9-10-25-18/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 387.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1164270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).