N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide

C21H22N2O3S — CID 1289488

IUPACN-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O3S/c1-3-15(2)22-21(24)19-10-6-7-11-20(19)23-27(25,26)18-13-12-16-8-4-5-9-17(16)14-18/h4-15,23H,3H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyZZOVSZFRMNDTGW-OAHLLOKOSA-N
MW382.49 g/mol
LogP4.17
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide

N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 1289488) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID1289488
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O3S/c1-3-15(2)22-21(24)19-10-6-7-11-20(19)23-27(25,26)18-13-12-16-8-4-5-9-17(16)14-18/h4-15,23H,3H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyZZOVSZFRMNDTGW-OAHLLOKOSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267
N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide
CID 132664998
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide (CID 1289488) is N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide is CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is ZZOVSZFRMNDTGW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-15(2)22-21(24)19-10-6-7-11-20(19)23-27(25,26)18-13-12-16-8-4-5-9-17(16)14-18/h4-15,23H,3H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 1289488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).