N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide

C19H32N4O3S — CID 55660410

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCN(CC)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-3-15-27(25,26)21-18-8-5-7-17(16-18)19(24)20-9-6-10-23-13-11-22(4-2)12-14-23/h5,7-8,16,21H,3-4,6,9-15H2,1-2H3,(H,20,24)
InChIKeyDWONYSPGRPUDQG-UHFFFAOYSA-N
MW396.56 g/mol
LogP1.60
Rot. Bonds10

About N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide (PubChem CID 55660410) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
PubChem CID55660410
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCN(CC)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-3-15-27(25,26)21-18-8-5-7-17(16-18)19(24)20-9-6-10-23-13-11-22(4-2)12-14-23/h5,7-8,16,21H,3-4,6,9-15H2,1-2H3,(H,20,24)
InChIKeyDWONYSPGRPUDQG-UHFFFAOYSA-N
XLogP1.60
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 51.60
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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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660110
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55660173
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-(3-chloropropylsulfonylamino)-N-propylbenzamide
CID 60959205
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide (CID 55660410) is N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCN(CC)CC2)c1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide?
The InChIKey is DWONYSPGRPUDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-3-15-27(25,26)21-18-8-5-7-17(16-18)19(24)20-9-6-10-23-13-11-22(4-2)12-14-23/h5,7-8,16,21H,3-4,6,9-15H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide has a molecular weight of 396.56 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 55660410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).