N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide

C15H23N3O4S — CID 3157916

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-13-2-4-14(5-3-13)23(20,21)17-7-6-16-15(19)12-18-8-10-22-11-9-18/h2-5,17H,6-12H2,1H3,(H,16,19)
InChIKeyDVFFMTUXGNFXIB-UHFFFAOYSA-N
MW341.43 g/mol
LogP-0.28
Rot. Bonds7

About N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide (PubChem CID 3157916) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide
PubChem CID3157916
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-13-2-4-14(5-3-13)23(20,21)17-7-6-16-15(19)12-18-8-10-22-11-9-18/h2-5,17H,6-12H2,1H3,(H,16,19)
InChIKeyDVFFMTUXGNFXIB-UHFFFAOYSA-N
XLogP-0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 5-0.28
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-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide (CID 3157916) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide?
The InChIKey is DVFFMTUXGNFXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-13-2-4-14(5-3-13)23(20,21)17-7-6-16-15(19)12-18-8-10-22-11-9-18/h2-5,17H,6-12H2,1H3,(H,16,19).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide has a molecular weight of 341.43 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3157916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).