N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C24H33N3O4S — CID 24550613

IUPACN-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCN(CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-2-26(22-7-4-3-5-8-22)16-6-15-25-24(28)14-11-21-9-12-23(13-10-21)32(29,30)27-17-19-31-20-18-27/h3-5,7-10,12-13H,2,6,11,14-20H2,1H3,(H,25,28)
InChIKeyXRIWJPZBVRTQCO-UHFFFAOYSA-N
MW459.61 g/mol
LogP2.67
Rot. Bonds11

About N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 24550613) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID24550613
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCN(CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-2-26(22-7-4-3-5-8-22)16-6-15-25-24(28)14-11-21-9-12-23(13-10-21)32(29,30)27-17-19-31-20-18-27/h3-5,7-10,12-13H,2,6,11,14-20H2,1H3,(H,25,28)
InChIKeyXRIWJPZBVRTQCO-UHFFFAOYSA-N
XLogP2.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 52.67
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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Related Compounds

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55720364
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190
4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
CID 52570210
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55656769
N-[3-(N-ethylanilino)propyl]-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20968190
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 55635058
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55520263
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 24550613) is N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is CCN(CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is XRIWJPZBVRTQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-2-26(22-7-4-3-5-8-22)16-6-15-25-24(28)14-11-21-9-12-23(13-10-21)32(29,30)27-17-19-31-20-18-27/h3-5,7-10,12-13H,2,6,11,14-20H2,1H3,(H,25,28).
What are the key properties of N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 459.61 g/mol, XLogP of 2.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24550613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).