3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide

C20H26N2O3S — CID 86777773

IUPAC3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide
SMILESCCC(CC)N(c1ccc(C)c(C)c1)S(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-5-17(6-2)22(18-11-10-14(3)15(4)12-18)26(24,25)19-9-7-8-16(13-19)20(21)23/h7-13,17H,5-6H2,1-4H3,(H2,21,23)
InChIKeyVZVZJMMRXNFKSD-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.79
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide

3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide (PubChem CID 86777773) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide
PubChem CID86777773
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide
SMILESCCC(CC)N(c1ccc(C)c(C)c1)S(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-5-17(6-2)22(18-11-10-14(3)15(4)12-18)26(24,25)19-9-7-8-16(13-19)20(21)23/h7-13,17H,5-6H2,1-4H3,(H2,21,23)
InChIKeyVZVZJMMRXNFKSD-UHFFFAOYSA-N
XLogP3.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide (CID 86777773) is 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide is CCC(CC)N(c1ccc(C)c(C)c1)S(=O)(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide?
The InChIKey is VZVZJMMRXNFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-17(6-2)22(18-11-10-14(3)15(4)12-18)26(24,25)19-9-7-8-16(13-19)20(21)23/h7-13,17H,5-6H2,1-4H3,(H2,21,23).
What are the key properties of 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide?
3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide is sourced from PubChem (CID 86777773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).