2-(3-morpholin-4-ylpropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

Substructure search Find similar structures

Basic information

CAS: 50385-02-9
Standard SMILES: O=C(CNCCCN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIKey: SWPIYFIEBGELQK-UHFFFAOYSA-N
Molecular formula: C21H26N4O6S
Average molar mass: 462.5 g/mol
Monoisotopic mass: 462.15730574

Names & identifiers

Preferred name: 2-(3-morpholin-4-ylpropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
IUPAC: 2-(3-morpholin-4-ylpropylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

Names & synonyms

50385-02-9NSC136951DTXSID90964647NSC-136951DS-009527N~2~-[3-(Morpholin-4-yl)propyl]-N-[4-(4-nitrobenzene-1-sulfonyl)phenyl]glycinamideACETAMIDE,2-[[3-(4-MORPHOLINYL)PROPYL]AMINO]-N-[4-[(4-NITROPHENYL)SULFONYL]PHENYL]-

Database identifiers

CAS: 50385-02-9
PubChem CID: 282867
DTXSID: DTXSID90964647

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 142 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 32
Formal charge: 0
Complexity: 701

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…