2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide

C14H22N2O3S — CID 104547629

IUPAC2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-15-10-8-12-6-3-4-7-13(12)14(17)16-9-5-11-20(2,18)19/h3-4,6-7,15H,5,8-11H2,1-2H3,(H,16,17)
InChIKeyKZAKTQOMRURQIP-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.61
Rot. Bonds8

About 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide

2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide (PubChem CID 104547629) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
PubChem CID104547629
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-15-10-8-12-6-3-4-7-13(12)14(17)16-9-5-11-20(2,18)19/h3-4,6-7,15H,5,8-11H2,1-2H3,(H,16,17)
InChIKeyKZAKTQOMRURQIP-UHFFFAOYSA-N
XLogP0.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
N-[2-(ethylsulfamoyl)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 106337113
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide (CID 104547629) is 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide is CNCCc1ccccc1C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide?
The InChIKey is KZAKTQOMRURQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-10-8-12-6-3-4-7-13(12)14(17)16-9-5-11-20(2,18)19/h3-4,6-7,15H,5,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide?
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 104547629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).