N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide

C21H25N3O4S — CID 8823353

IUPACN-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O4S/c1-3-15(2)22-21(26)18-7-4-5-8-19(18)23-29(27,28)17-12-10-16(11-13-17)24-14-6-9-20(24)25/h4-5,7-8,10-13,15,23H,3,6,9,14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyHPTRDVHZLZAWTA-OAHLLOKOSA-N
MW415.52 g/mol
LogP3.14
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide

N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide (PubChem CID 8823353) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
PubChem CID8823353
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O4S/c1-3-15(2)22-21(26)18-7-4-5-8-19(18)23-29(27,28)17-12-10-16(11-13-17)24-14-6-9-20(24)25/h4-5,7-8,10-13,15,23H,3,6,9,14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyHPTRDVHZLZAWTA-OAHLLOKOSA-N
XLogP3.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide (CID 8823353) is N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide is CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is HPTRDVHZLZAWTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-3-15(2)22-21(26)18-7-4-5-8-19(18)23-29(27,28)17-12-10-16(11-13-17)24-14-6-9-20(24)25/h4-5,7-8,10-13,15,23H,3,6,9,14H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 415.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 8823353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).