2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide

C16H26N4O4S — CID 3075862

IUPAC2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C16H26N4O4S/c1-19-8-10-20(11-9-19)7-3-6-18-16(21)14-12-13(25(17,22)23)4-5-15(14)24-2/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyRTSCDXUIFPYRBY-UHFFFAOYSA-N
MW370.48 g/mol
LogP-0.29
Rot. Bonds7

About 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide

2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide (PubChem CID 3075862) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
PubChem CID3075862
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C16H26N4O4S/c1-19-8-10-20(11-9-19)7-3-6-18-16(21)14-12-13(25(17,22)23)4-5-15(14)24-2/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyRTSCDXUIFPYRBY-UHFFFAOYSA-N
XLogP-0.29
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.29
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-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
CID 99971694
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 17401615
N-[3-(azepan-1-yl)propyl]-2-bromo-5-sulfamoylbenzamide
CID 134057435
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoylbenzamide
CID 9499127
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide (CID 3075862) is 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide?
The InChIKey is RTSCDXUIFPYRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-19-8-10-20(11-9-19)7-3-6-18-16(21)14-12-13(25(17,22)23)4-5-15(14)24-2/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)(H2,17,22,23).
What are the key properties of 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide?
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide has a molecular weight of 370.48 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 3075862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).