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

C18H22N2O3S — CID 3437887

IUPAC2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-17(15-6-4-3-5-7-15)18(21)20-13-12-14-8-10-16(11-9-14)24(19,22)23/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyZUTZLPYXEWJGBB-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.19
Rot. Bonds7

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

2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 3437887) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID3437887
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-17(15-6-4-3-5-7-15)18(21)20-13-12-14-8-10-16(11-9-14)24(19,22)23/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyZUTZLPYXEWJGBB-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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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-benzyl-4-sulfamoylbenzamide
CID 4347
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
2-Cyclohexylamido-5-sulfonamidoindane
CID 11623958
2-Nonylamido-5-sulfonamidoindane
CID 11660633
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 3437887) is 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CCC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is ZUTZLPYXEWJGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-17(15-6-4-3-5-7-15)18(21)20-13-12-14-8-10-16(11-9-14)24(19,22)23/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
2-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 2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 3437887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).