N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride

C15H26ClN3O3S — CID 120650844

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H](C)NCC.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-4-10-22(20,21)18-14-9-7-6-8-13(14)15(19)17-11-12(3)16-5-2;/h6-9,12,16,18H,4-5,10-11H2,1-3H3,(H,17,19);1H/t12-;/m1./s1
InChIKeyAHZVGRVKSJBTDH-UTONKHPSSA-N
MW363.91 g/mol
LogP1.99
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride (PubChem CID 120650844) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
PubChem CID120650844
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H](C)NCC.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-4-10-22(20,21)18-14-9-7-6-8-13(14)15(19)17-11-12(3)16-5-2;/h6-9,12,16,18H,4-5,10-11H2,1-3H3,(H,17,19);1H/t12-;/m1./s1
InChIKeyAHZVGRVKSJBTDH-UTONKHPSSA-N
XLogP1.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride (CID 120650844) is N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride is CCCS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H](C)NCC.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride?
The InChIKey is AHZVGRVKSJBTDH-UTONKHPSSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-4-10-22(20,21)18-14-9-7-6-8-13(14)15(19)17-11-12(3)16-5-2;/h6-9,12,16,18H,4-5,10-11H2,1-3H3,(H,17,19);1H/t12-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 120650844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).