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

C15H24N2O4S — CID 2954872

IUPACN-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O4S/c1-4-21-11-5-10-16-15(18)13(3)17-22(19,20)14-8-6-12(2)7-9-14/h6-9,13,17H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyOWSMHZJYNMJKKR-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.20
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2954872) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2954872
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O4S/c1-4-21-11-5-10-16-15(18)13(3)17-22(19,20)14-8-6-12(2)7-9-14/h6-9,13,17H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyOWSMHZJYNMJKKR-UHFFFAOYSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.20
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 N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 2954872) is N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is CCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is OWSMHZJYNMJKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-21-11-5-10-16-15(18)13(3)17-22(19,20)14-8-6-12(2)7-9-14/h6-9,13,17H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2954872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).