N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide

C12H19N3O3S — CID 120505355

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C12H19N3O3S/c1-3-19(17,18)15-11-7-5-4-6-10(11)12(16)14-9(2)8-13/h4-7,9,15H,3,8,13H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyUJPSCXQIVJLEAC-VIFPVBQESA-N
MW285.37 g/mol
LogP0.53
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide

N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide (PubChem CID 120505355) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
PubChem CID120505355
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C12H19N3O3S/c1-3-19(17,18)15-11-7-5-4-6-10(11)12(16)14-9(2)8-13/h4-7,9,15H,3,8,13H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyUJPSCXQIVJLEAC-VIFPVBQESA-N
XLogP0.53
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
CID 43653866
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide (CID 120505355) is N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide is CCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide?
The InChIKey is UJPSCXQIVJLEAC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-19(17,18)15-11-7-5-4-6-10(11)12(16)14-9(2)8-13/h4-7,9,15H,3,8,13H2,1-2H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide?
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide has a molecular weight of 285.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 120505355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).