N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide

C13H21N3O3S — CID 104547460

IUPACN-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-14-8-7-11-5-3-4-6-12(11)13(17)15-9-10-16-20(2,18)19/h3-6,14,16H,7-10H2,1-2H3,(H,15,17)
InChIKeyZKAMBYKJYOCZBP-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.27
Rot. Bonds8

About N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide

N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104547460) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
PubChem CID104547460
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-14-8-7-11-5-3-4-6-12(11)13(17)15-9-10-16-20(2,18)19/h3-6,14,16H,7-10H2,1-2H3,(H,15,17)
InChIKeyZKAMBYKJYOCZBP-UHFFFAOYSA-N
XLogP-0.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N-[2-(ethylsulfamoyl)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 106337113
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
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
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
2-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]benzoic acid
CID 115923776
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide (CID 104547460) is N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is ZKAMBYKJYOCZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-14-8-7-11-5-3-4-6-12(11)13(17)15-9-10-16-20(2,18)19/h3-6,14,16H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide?
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 299.40 g/mol, XLogP of -0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104547460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).