N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C12H18N2O3S — CID 977781

IUPACN-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-3-12(15)14-9-8-10-4-6-11(7-5-10)18(13,16)17/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMRJYEIYPZFWJLC-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]butanamide

N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 977781) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID977781
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-3-12(15)14-9-8-10-4-6-11(7-5-10)18(13,16)17/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMRJYEIYPZFWJLC-UHFFFAOYSA-N
XLogP0.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 977781) is N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is MRJYEIYPZFWJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-3-12(15)14-9-8-10-4-6-11(7-5-10)18(13,16)17/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 270.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 977781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).