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

C19H24N2O5S — CID 25161779

IUPACN-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccccc1OCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S/c1-15-7-9-16(10-8-15)27(23,24)21-12-11-19(22)20-13-14-26-18-6-4-3-5-17(18)25-2/h3-10,21H,11-14H2,1-2H3,(H,20,22)
InChIKeyAPDYUWFAIJXXDR-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.87
Rot. Bonds10

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

N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 25161779) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID25161779
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccccc1OCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S/c1-15-7-9-16(10-8-15)27(23,24)21-12-11-19(22)20-13-14-26-18-6-4-3-5-17(18)25-2/h3-10,21H,11-14H2,1-2H3,(H,20,22)
InChIKeyAPDYUWFAIJXXDR-UHFFFAOYSA-N
XLogP1.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 25161779) is N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is COc1ccccc1OCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is APDYUWFAIJXXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-15-7-9-16(10-8-15)27(23,24)21-12-11-19(22)20-13-14-26-18-6-4-3-5-17(18)25-2/h3-10,21H,11-14H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 392.48 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 25161779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).