N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide

C14H22N2O3S — CID 47104367

IUPACN-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-9-20(18,19)16-13-8-6-5-7-12(13)14(17)15-10-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeySMJQMZGQMAQLEB-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.22
Rot. Bonds7

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

N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide (PubChem CID 47104367) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
PubChem CID47104367
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-9-20(18,19)16-13-8-6-5-7-12(13)14(17)15-10-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeySMJQMZGQMAQLEB-UHFFFAOYSA-N
XLogP2.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide (CID 47104367) is N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide?
The InChIKey is SMJQMZGQMAQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-9-20(18,19)16-13-8-6-5-7-12(13)14(17)15-10-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide?
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide has a molecular weight of 298.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide is sourced from PubChem (CID 47104367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).