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

C18H22N2O3S — CID 3853249

IUPAC3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14(16-5-3-2-4-6-16)13-18(21)20-12-11-15-7-9-17(10-8-15)24(19,22)23/h2-10,14H,11-13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyCWCYUVJCARUZBM-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.19
Rot. Bonds7

About 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 3853249) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID3853249
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14(16-5-3-2-4-6-16)13-18(21)20-12-11-15-7-9-17(10-8-15)24(19,22)23/h2-10,14H,11-13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyCWCYUVJCARUZBM-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 3853249) is 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CC(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is CWCYUVJCARUZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(16-5-3-2-4-6-16)13-18(21)20-12-11-15-7-9-17(10-8-15)24(19,22)23/h2-10,14H,11-13H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 346.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 3853249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).