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

C24H34N4O4S — CID 55660110

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCN(CC)CC3)c2)cc1
InChIInChI=1S/C24H34N4O4S/c1-3-27-15-17-28(18-16-27)14-6-13-25-24(29)20-7-5-8-21(19-20)26-33(30,31)23-11-9-22(10-12-23)32-4-2/h5,7-12,19,26H,3-4,6,13-18H2,1-2H3,(H,25,29)
InChIKeyFCBVFCODEVLJAI-UHFFFAOYSA-N
MW474.63 g/mol
LogP2.64
Rot. Bonds11

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

3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (PubChem CID 55660110) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
PubChem CID55660110
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCN(CC)CC3)c2)cc1
InChIInChI=1S/C24H34N4O4S/c1-3-27-15-17-28(18-16-27)14-6-13-25-24(29)20-7-5-8-21(19-20)26-33(30,31)23-11-9-22(10-12-23)32-4-2/h5,7-12,19,26H,3-4,6,13-18H2,1-2H3,(H,25,29)
InChIKeyFCBVFCODEVLJAI-UHFFFAOYSA-N
XLogP2.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.64
H-Bond Donors ≤ 52
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-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 55847760
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656521
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24687436
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25331234
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430428

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (CID 55660110) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCN(CC)CC3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The InChIKey is FCBVFCODEVLJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-3-27-15-17-28(18-16-27)14-6-13-25-24(29)20-7-5-8-21(19-20)26-33(30,31)23-11-9-22(10-12-23)32-4-2/h5,7-12,19,26H,3-4,6,13-18H2,1-2H3,(H,25,29).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide has a molecular weight of 474.63 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 55660110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).