2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide

C17H28N4O4S — CID 99971694

IUPAC2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCCCN2CCN(C)CC2)ccc1OC
InChIInChI=1S/C17H28N4O4S/c1-18-17(22)15-13-14(5-6-16(15)25-3)26(23,24)19-7-4-8-21-11-9-20(2)10-12-21/h5-6,13,19H,4,7-12H2,1-3H3,(H,18,22)
InChIKeyOGIGGVSPZDGJCZ-UHFFFAOYSA-N
MW384.50 g/mol
LogP-0.03
Rot. Bonds8

About 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide

2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide (PubChem CID 99971694) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
PubChem CID99971694
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCCCN2CCN(C)CC2)ccc1OC
InChIInChI=1S/C17H28N4O4S/c1-18-17(22)15-13-14(5-6-16(15)25-3)26(23,24)19-7-4-8-21-11-9-20(2)10-12-21/h5-6,13,19H,4,7-12H2,1-3H3,(H,18,22)
InChIKeyOGIGGVSPZDGJCZ-UHFFFAOYSA-N
XLogP-0.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 5-0.03
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

2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824149
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
2-methoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525950

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide (CID 99971694) is 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide is CNC(=O)c1cc(S(=O)(=O)NCCCN2CCN(C)CC2)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide?
The InChIKey is OGIGGVSPZDGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-18-17(22)15-13-14(5-6-16(15)25-3)26(23,24)19-7-4-8-21-11-9-20(2)10-12-21/h5-6,13,19H,4,7-12H2,1-3H3,(H,18,22).
What are the key properties of 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide?
2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide has a molecular weight of 384.50 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide is sourced from PubChem (CID 99971694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).