N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide

C17H20N2O4S — CID 30784558

IUPACN-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)19-15-11-9-14(10-12-15)18-17(20)8-5-13-23-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13H2,1H3,(H,18,20)
InChIKeyQJDUKFXSHVVGEC-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.86
Rot. Bonds8

About N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide

N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide (PubChem CID 30784558) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
PubChem CID30784558
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)19-15-11-9-14(10-12-15)18-17(20)8-5-13-23-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13H2,1H3,(H,18,20)
InChIKeyQJDUKFXSHVVGEC-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
CID 30907632

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide (CID 30784558) is N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide is CS(=O)(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide?
The InChIKey is QJDUKFXSHVVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-24(21,22)19-15-11-9-14(10-12-15)18-17(20)8-5-13-23-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13H2,1H3,(H,18,20).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide?
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide has a molecular weight of 348.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 30784558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).