3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide

C18H22N2O4S — CID 25162222

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-15-7-9-17(10-8-15)25(22,23)20-12-11-18(21)19-13-14-24-16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,19,21)
InChIKeyHDWOAFUYCUQAGA-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.86
Rot. Bonds9

About 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide

3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide (PubChem CID 25162222) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
PubChem CID25162222
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-15-7-9-17(10-8-15)25(22,23)20-12-11-18(21)19-13-14-24-16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,19,21)
InChIKeyHDWOAFUYCUQAGA-UHFFFAOYSA-N
XLogP1.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide (CID 25162222) is 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
The InChIKey is HDWOAFUYCUQAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-15-7-9-17(10-8-15)25(22,23)20-12-11-18(21)19-13-14-24-16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,19,21).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 25162222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).