3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide

C16H26N4O3S — CID 119392350

IUPAC3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCNCC2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H26N4O3S/c1-13-4-5-14(12-15(13)19-24(2,22)23)16(21)18-6-3-9-20-10-7-17-8-11-20/h4-5,12,17,19H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyBCERRTXCSICOJA-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.39
Rot. Bonds7

About 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide

3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119392350) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119392350
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCNCC2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H26N4O3S/c1-13-4-5-14(12-15(13)19-24(2,22)23)16(21)18-6-3-9-20-10-7-17-8-11-20/h4-5,12,17,19H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyBCERRTXCSICOJA-UHFFFAOYSA-N
XLogP0.39
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448778
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide (CID 119392350) is 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide is Cc1ccc(C(=O)NCCCN2CCNCC2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is BCERRTXCSICOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-13-4-5-14(12-15(13)19-24(2,22)23)16(21)18-6-3-9-20-10-7-17-8-11-20/h4-5,12,17,19H,3,6-11H2,1-2H3,(H,18,21).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 354.48 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119392350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).