3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

C18H25N3O3S2 — CID 36695261

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2csc(C)n2)ccc1C
InChIInChI=1S/C18H25N3O3S2/c1-5-21(6-2)26(23,24)17-11-15(8-7-13(17)3)18(22)19-10-9-16-12-25-14(4)20-16/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyGIXVXKBGBPNMIR-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.76
Rot. Bonds8

About 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 36695261) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID36695261
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2csc(C)n2)ccc1C
InChIInChI=1S/C18H25N3O3S2/c1-5-21(6-2)26(23,24)17-11-15(8-7-13(17)3)18(22)19-10-9-16-12-25-14(4)20-16/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyGIXVXKBGBPNMIR-UHFFFAOYSA-N
XLogP2.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
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3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106035352
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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 36695261) is 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2csc(C)n2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is GIXVXKBGBPNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-5-21(6-2)26(23,24)17-11-15(8-7-13(17)3)18(22)19-10-9-16-12-25-14(4)20-16/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,22).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 36695261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).