N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride

C14H23ClN2O3S — CID 119507988

IUPACN-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCNCC.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-3-11-20(18,19)13-8-6-5-7-12(13)14(17)16-10-9-15-4-2;/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17);1H
InChIKeyLBTSIFRFZBEHLH-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.63
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride (PubChem CID 119507988) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
PubChem CID119507988
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCNCC.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-3-11-20(18,19)13-8-6-5-7-12(13)14(17)16-10-9-15-4-2;/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17);1H
InChIKeyLBTSIFRFZBEHLH-UHFFFAOYSA-N
XLogP1.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.63
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

3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride (CID 119507988) is N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride is CCCS(=O)(=O)c1ccccc1C(=O)NCCNCC.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride?
The InChIKey is LBTSIFRFZBEHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-3-11-20(18,19)13-8-6-5-7-12(13)14(17)16-10-9-15-4-2;/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119507988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).