3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

C21H36N4O4S — CID 55656851

IUPAC3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCCCN2CCN(C)CC2)ccc1OC
InChIInChI=1S/C21H36N4O4S/c1-5-25(6-2)30(27,28)20-17-18(9-10-19(20)29-4)21(26)22-11-7-8-12-24-15-13-23(3)14-16-24/h9-10,17H,5-8,11-16H2,1-4H3,(H,22,26)
InChIKeyJHWADUVUZPVDPQ-UHFFFAOYSA-N
MW440.61 g/mol
LogP1.48
Rot. Bonds11

About 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (PubChem CID 55656851) has the molecular formula C21H36N4O4S and a molecular weight of 440.61 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
PubChem CID55656851
Molecular FormulaC21H36N4O4S
Molecular Weight440.61 g/mol
Exact Mass440.25
IUPAC Name3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCCCN2CCN(C)CC2)ccc1OC
InChIInChI=1S/C21H36N4O4S/c1-5-25(6-2)30(27,28)20-17-18(9-10-19(20)29-4)21(26)22-11-7-8-12-24-15-13-23(3)14-16-24/h9-10,17H,5-8,11-16H2,1-4H3,(H,22,26)
InChIKeyJHWADUVUZPVDPQ-UHFFFAOYSA-N
XLogP1.48
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 51.48
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

4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
3-(dimethylsulfamoyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638847
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46477201
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (CID 55656851) is 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCCN2CCN(C)CC2)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The InChIKey is JHWADUVUZPVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O4S/c1-5-25(6-2)30(27,28)20-17-18(9-10-19(20)29-4)21(26)22-11-7-8-12-24-15-13-23(3)14-16-24/h9-10,17H,5-8,11-16H2,1-4H3,(H,22,26).
What are the key properties of 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide has a molecular weight of 440.61 g/mol, XLogP of 1.48, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 55656851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).