2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide

C16H23Cl2N3O4S — CID 2960907

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2N3O4S/c1-20(26(23,24)15-11-13(17)3-4-14(15)18)12-16(22)19-5-2-6-21-7-9-25-10-8-21/h3-4,11H,2,5-10,12H2,1H3,(H,19,22)
InChIKeyVFPNFGHTKZZFIB-UHFFFAOYSA-N
MW424.35 g/mol
LogP1.45
Rot. Bonds8

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 2960907) has the molecular formula C16H23Cl2N3O4S and a molecular weight of 424.35 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID2960907
Molecular FormulaC16H23Cl2N3O4S
Molecular Weight424.35 g/mol
Exact Mass423.08
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2N3O4S/c1-20(26(23,24)15-11-13(17)3-4-14(15)18)12-16(22)19-5-2-6-21-7-9-25-10-8-21/h3-4,11H,2,5-10,12H2,1H3,(H,19,22)
InChIKeyVFPNFGHTKZZFIB-UHFFFAOYSA-N
XLogP1.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
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 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide (CID 2960907) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide is CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is VFPNFGHTKZZFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O4S/c1-20(26(23,24)15-11-13(17)3-4-14(15)18)12-16(22)19-5-2-6-21-7-9-25-10-8-21/h3-4,11H,2,5-10,12H2,1H3,(H,19,22).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 424.35 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 2960907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).