2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide

C13H20N2O3S — CID 47111066

IUPAC2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C13H20N2O3S/c1-4-19(17,18)15-12-8-6-5-7-11(12)13(16)14-9-10(2)3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyHHYGIIAEVFEDEL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.83
Rot. Bonds6

About 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide

2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide (PubChem CID 47111066) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
PubChem CID47111066
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C13H20N2O3S/c1-4-19(17,18)15-12-8-6-5-7-11(12)13(16)14-9-10(2)3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyHHYGIIAEVFEDEL-UHFFFAOYSA-N
XLogP1.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide (CID 47111066) is 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide is CCS(=O)(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is HHYGIIAEVFEDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-19(17,18)15-12-8-6-5-7-11(12)13(16)14-9-10(2)3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide?
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 47111066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).