N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide

C15H24N2O3S — CID 75392855

IUPACN-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide
SMILESCCC(C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-12(4)17-21(19,20)10-13-7-6-8-14(9-13)16-15(18)11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,16,18)
InChIKeyPJQYUMJWGLHGDD-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.50
Rot. Bonds7

About N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide

N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide (PubChem CID 75392855) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide
PubChem CID75392855
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide
SMILESCCC(C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-12(4)17-21(19,20)10-13-7-6-8-14(9-13)16-15(18)11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,16,18)
InChIKeyPJQYUMJWGLHGDD-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide (CID 75392855) is N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide is CCC(C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide?
The InChIKey is PJQYUMJWGLHGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-12(4)17-21(19,20)10-13-7-6-8-14(9-13)16-15(18)11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,16,18).
What are the key properties of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide?
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 75392855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).