N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide

C21H23N3O5S — CID 100538267

IUPACN-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H23N3O5S/c1-3-14(2)22-21(27)17-6-4-5-7-18(17)23-30(28,29)16-10-8-15(9-11-16)24-19(25)12-13-20(24)26/h4-11,14,23H,3,12-13H2,1-2H3,(H,22,27)/t14-/m0/s1
InChIKeyFHURRZREJHWGTM-AWEZNQCLSA-N
MW429.50 g/mol
LogP2.67
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide

N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide (PubChem CID 100538267) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
PubChem CID100538267
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H23N3O5S/c1-3-14(2)22-21(27)17-6-4-5-7-18(17)23-30(28,29)16-10-8-15(9-11-16)24-19(25)12-13-20(24)26/h4-11,14,23H,3,12-13H2,1-2H3,(H,22,27)/t14-/m0/s1
InChIKeyFHURRZREJHWGTM-AWEZNQCLSA-N
XLogP2.67
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 43853531
2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 100539081
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
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
N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide
CID 132664998
methyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-2-methylbenzoate
CID 100538749
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide (CID 100538267) is N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is FHURRZREJHWGTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-3-14(2)22-21(27)17-6-4-5-7-18(17)23-30(28,29)16-10-8-15(9-11-16)24-19(25)12-13-20(24)26/h4-11,14,23H,3,12-13H2,1-2H3,(H,22,27)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 429.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 100538267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).