N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C23H30N2O6S2 — CID 55842190

IUPACN-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O6S2/c26-23(24-13-4-18-32(27,28)19-21-5-2-1-3-6-21)12-9-20-7-10-22(11-8-20)33(29,30)25-14-16-31-17-15-25/h1-3,5-8,10-11H,4,9,12-19H2,(H,24,26)
InChIKeyHWIZCAJRJHBIAS-UHFFFAOYSA-N
MW494.64 g/mol
LogP1.76
Rot. Bonds11

About N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55842190) has the molecular formula C23H30N2O6S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55842190
Molecular FormulaC23H30N2O6S2
Molecular Weight494.64 g/mol
Exact Mass494.15
IUPAC NameN-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O6S2/c26-23(24-13-4-18-32(27,28)19-21-5-2-1-3-6-21)12-9-20-7-10-22(11-8-20)33(29,30)25-14-16-31-17-15-25/h1-3,5-8,10-11H,4,9,12-19H2,(H,24,26)
InChIKeyHWIZCAJRJHBIAS-UHFFFAOYSA-N
XLogP1.76
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
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-[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-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55720364
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
N-[3-(furan-2-ylmethoxy)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55461553
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55842190) is N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is HWIZCAJRJHBIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S2/c26-23(24-13-4-18-32(27,28)19-21-5-2-1-3-6-21)12-9-20-7-10-22(11-8-20)33(29,30)25-14-16-31-17-15-25/h1-3,5-8,10-11H,4,9,12-19H2,(H,24,26).
What are the key properties of N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 494.64 g/mol, XLogP of 1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55842190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).