2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide

C18H22N2O3S — CID 6460474

IUPAC2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-13-8-11-16(12-17(13)18(19)21)24(22,23)20-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,20H,9-10H2,1-2H3,(H2,19,21)
InChIKeyGJICCWFTRZEMHF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.39
Rot. Bonds7

About 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide

2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide (PubChem CID 6460474) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide
PubChem CID6460474
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-13-8-11-16(12-17(13)18(19)21)24(22,23)20-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,20H,9-10H2,1-2H3,(H2,19,21)
InChIKeyGJICCWFTRZEMHF-UHFFFAOYSA-N
XLogP2.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide (CID 6460474) is 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide is Cc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide?
The InChIKey is GJICCWFTRZEMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-8-11-16(12-17(13)18(19)21)24(22,23)20-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,20H,9-10H2,1-2H3,(H2,19,21).
What are the key properties of 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide?
2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenylbutan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 6460474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).