N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide

C16H27N3O3S — CID 119639934

IUPACN-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCC(N)(CC)CC
InChIInChI=1S/C16H27N3O3S/c1-4-11-23(21,22)19-14-10-8-7-9-13(14)15(20)18-12-16(17,5-2)6-3/h7-10,19H,4-6,11-12,17H2,1-3H3,(H,18,20)
InChIKeyTUPZUSAGCHPDNE-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.09
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide

N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide (PubChem CID 119639934) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
PubChem CID119639934
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCC(N)(CC)CC
InChIInChI=1S/C16H27N3O3S/c1-4-11-23(21,22)19-14-10-8-7-9-13(14)15(20)18-12-16(17,5-2)6-3/h7-10,19H,4-6,11-12,17H2,1-3H3,(H,18,20)
InChIKeyTUPZUSAGCHPDNE-UHFFFAOYSA-N
XLogP2.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
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-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
2-(butylsulfonylamino)benzamide
CID 17376030

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide (CID 119639934) is N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccccc1C(=O)NCC(N)(CC)CC.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide?
The InChIKey is TUPZUSAGCHPDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-11-23(21,22)19-14-10-8-7-9-13(14)15(20)18-12-16(17,5-2)6-3/h7-10,19H,4-6,11-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide?
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide has a molecular weight of 341.48 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide is sourced from PubChem (CID 119639934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).