2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide

C17H20N2O4S — CID 5074530

IUPAC2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-16(23-14-6-4-3-5-7-14)17(20)19-12-13-8-10-15(11-9-13)24(18,21)22/h3-11,16H,2,12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyXSSZVJBSWWJCDI-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.81
Rot. Bonds7

About 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide

2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 5074530) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID5074530
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-16(23-14-6-4-3-5-7-14)17(20)19-12-13-8-10-15(11-9-13)24(18,21)22/h3-11,16H,2,12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyXSSZVJBSWWJCDI-UHFFFAOYSA-N
XLogP1.81
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[(2-phenoxyacetyl)amino]hexanoic acid
CID 513410
Sms1-IN-1
CID 91938094
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
4-[(dimethylamino)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2293105
N-[(2-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 2889810
2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4845318
N-[(4-Methoxy-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 651872
2-Benzenesulfonylamino-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 654623
N-(2-Methoxy-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 655743
N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1008028

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 5074530) is 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide is CCC(Oc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is XSSZVJBSWWJCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-16(23-14-6-4-3-5-7-14)17(20)19-12-13-8-10-15(11-9-13)24(18,21)22/h3-11,16H,2,12H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide?
2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 348.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 5074530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).