2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide

C20H26N2O4S — CID 2273911

IUPAC2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-26-16-8-14-21-20(23)17-22(15-13-18-9-4-2-5-10-18)27(24,25)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,21,23)
InChIKeyCKZOMJJQSWEBFS-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.07
Rot. Bonds11

About 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide

2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 2273911) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID2273911
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-26-16-8-14-21-20(23)17-22(15-13-18-9-4-2-5-10-18)27(24,25)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,21,23)
InChIKeyCKZOMJJQSWEBFS-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
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 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide (CID 2273911) is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is CKZOMJJQSWEBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-26-16-8-14-21-20(23)17-22(15-13-18-9-4-2-5-10-18)27(24,25)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,21,23).
What are the key properties of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide?
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2273911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).