3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide

C13H20N2O3S — CID 17408456

IUPAC3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide
SMILESCC(C)CC(=O)NCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)7-13(16)15-8-11-3-5-12(6-4-11)9-19(14,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyWHTPROOMELTBJA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.14
Rot. Bonds6

About 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide

3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide (PubChem CID 17408456) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide
PubChem CID17408456
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide
SMILESCC(C)CC(=O)NCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)7-13(16)15-8-11-3-5-12(6-4-11)9-19(14,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyWHTPROOMELTBJA-UHFFFAOYSA-N
XLogP1.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide (CID 17408456) is 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide is CC(C)CC(=O)NCc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide?
The InChIKey is WHTPROOMELTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)7-13(16)15-8-11-3-5-12(6-4-11)9-19(14,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide?
3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide has a molecular weight of 284.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 17408456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).