4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide

C25H23N3O5S — CID 20629329

IUPAC4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
InChIInChI=1S/C25H23N3O5S/c1-25(2,3)34(32,33)27-17-11-9-16(10-12-17)22(29)26-18-13-14-20-21(15-18)24(31)28(23(20)30)19-7-5-4-6-8-19/h4-15,27H,1-3H3,(H,26,29)
InChIKeyWXLBPSROQRHVDO-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.28
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide

4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide (PubChem CID 20629329) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
PubChem CID20629329
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
InChIInChI=1S/C25H23N3O5S/c1-25(2,3)34(32,33)27-17-11-9-16(10-12-17)22(29)26-18-13-14-20-21(15-18)24(31)28(23(20)30)19-7-5-4-6-8-19/h4-15,27H,1-3H3,(H,26,29)
InChIKeyWXLBPSROQRHVDO-UHFFFAOYSA-N
XLogP4.28
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.28
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-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide
CID 25044036
N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 15991864
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931
N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide
CID 15176885
methyl 3-[5-[(4-aminobenzoyl)amino]-1,3-dioxoisoindol-2-yl]benzoate
CID 23850036
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide (CID 20629329) is 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide?
The InChIKey is WXLBPSROQRHVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-25(2,3)34(32,33)27-17-11-9-16(10-12-17)22(29)26-18-13-14-20-21(15-18)24(31)28(23(20)30)19-7-5-4-6-8-19/h4-15,27H,1-3H3,(H,26,29).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide?
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide has a molecular weight of 477.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide is sourced from PubChem (CID 20629329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).