N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide

C14H23N3O3S — CID 120650735

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
SMILESCCN[C@H](C)CNC(=O)c1ccccc1NS(=O)(=O)CC
InChIInChI=1S/C14H23N3O3S/c1-4-15-11(3)10-16-14(18)12-8-6-7-9-13(12)17-21(19,20)5-2/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyZCQMSLIBTVKGOV-LLVKDONJSA-N
MW313.42 g/mol
LogP1.18
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide

N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide (PubChem CID 120650735) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
PubChem CID120650735
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
SMILESCCN[C@H](C)CNC(=O)c1ccccc1NS(=O)(=O)CC
InChIInChI=1S/C14H23N3O3S/c1-4-15-11(3)10-16-14(18)12-8-6-7-9-13(12)17-21(19,20)5-2/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyZCQMSLIBTVKGOV-LLVKDONJSA-N
XLogP1.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide (CID 120650735) is N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide is CCN[C@H](C)CNC(=O)c1ccccc1NS(=O)(=O)CC.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide?
The InChIKey is ZCQMSLIBTVKGOV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-15-11(3)10-16-14(18)12-8-6-7-9-13(12)17-21(19,20)5-2/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide?
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide has a molecular weight of 313.42 g/mol, XLogP of 1.18, 8 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-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 120650735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).