N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C22H36N4O4S — CID 55656769

IUPACN-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCN1CCN(CCCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H36N4O4S/c1-24-12-14-25(15-13-24)11-3-2-10-23-22(27)9-6-20-4-7-21(8-5-20)31(28,29)26-16-18-30-19-17-26/h4-5,7-8H,2-3,6,9-19H2,1H3,(H,23,27)
InChIKeyLXGYMYZGSHYYON-UHFFFAOYSA-N
MW452.62 g/mol
LogP0.78
Rot. Bonds10

About N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55656769) has the molecular formula C22H36N4O4S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55656769
Molecular FormulaC22H36N4O4S
Molecular Weight452.62 g/mol
Exact Mass452.25
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCN1CCN(CCCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H36N4O4S/c1-24-12-14-25(15-13-24)11-3-2-10-23-22(27)9-6-20-4-7-21(8-5-20)31(28,29)26-16-18-30-19-17-26/h4-5,7-8H,2-3,6,9-19H2,1H3,(H,23,27)
InChIKeyLXGYMYZGSHYYON-UHFFFAOYSA-N
XLogP0.78
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 50.78
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-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
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-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55720364
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55735202

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55656769) is N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is CN1CCN(CCCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is LXGYMYZGSHYYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O4S/c1-24-12-14-25(15-13-24)11-3-2-10-23-22(27)9-6-20-4-7-21(8-5-20)31(28,29)26-16-18-30-19-17-26/h4-5,7-8H,2-3,6,9-19H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 452.62 g/mol, XLogP of 0.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55656769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).