4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide

C17H20N2O4S — CID 2971855

IUPAC4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide
SMILESCS(=O)(=O)NCc1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)19-13-14-7-9-15(10-8-14)17(20)18-11-12-23-16-5-3-2-4-6-16/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyKEGNOBRPZGUSEU-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.54
Rot. Bonds8

About 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide

4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide (PubChem CID 2971855) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide
PubChem CID2971855
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide
SMILESCS(=O)(=O)NCc1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)19-13-14-7-9-15(10-8-14)17(20)18-11-12-23-16-5-3-2-4-6-16/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyKEGNOBRPZGUSEU-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide (CID 2971855) is 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide is CS(=O)(=O)NCc1ccc(C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide?
The InChIKey is KEGNOBRPZGUSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-24(21,22)19-13-14-7-9-15(10-8-14)17(20)18-11-12-23-16-5-3-2-4-6-16/h2-10,19H,11-13H2,1H3,(H,18,20).
What are the key properties of 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide?
4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamidomethyl)-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 2971855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).