3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide

C22H26N4O6S — CID 87454774

IUPAC3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide
SMILESCC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1O
InChIInChI=1S/C22H26N4O6S/c1-22(2,3)17-12-15(26-18(27)9-10-23-21(26)30)11-16(19(17)28)20(29)24-13-5-7-14(8-6-13)25-33(4,31)32/h5-8,11-12,25,28H,9-10H2,1-4H3,(H,23,30)(H,24,29)
InChIKeyPUCGANOIQHKTJF-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.76
Rot. Bonds5

About 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide

3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide (PubChem CID 87454774) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide.

Molecular Properties

Compound Name3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide
PubChem CID87454774
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide
SMILESCC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1O
InChIInChI=1S/C22H26N4O6S/c1-22(2,3)17-12-15(26-18(27)9-10-23-21(26)30)11-16(19(17)28)20(29)24-13-5-7-14(8-6-13)25-33(4,31)32/h5-8,11-12,25,28H,9-10H2,1-4H3,(H,23,30)(H,24,29)
InChIKeyPUCGANOIQHKTJF-UHFFFAOYSA-N
XLogP2.76
TPSA144.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide
CID 87454821
3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide
CID 42600064
N-[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-hydroxyphenyl]-4-(methanesulfonamido)benzamide
CID 87256046
3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-N-[4-(methanesulfonamido)phenyl]benzamide
CID 67066484
3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-N-[4-(methanesulfonamido)phenyl]-2-methoxy-N-methylbenzamide
CID 42599815
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522117
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56766087
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
methyl N-[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]-N-methylsulfonylcarbamate
CID 67066514
3-(methanesulfonamido)-2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92673482

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide?
The IUPAC name of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide (CID 87454774) is 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide.
What is the SMILES notation for 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide?
The canonical SMILES for 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide is CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1O.
What is the InChIKey of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide?
The InChIKey is PUCGANOIQHKTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-22(2,3)17-12-15(26-18(27)9-10-23-21(26)30)11-16(19(17)28)20(29)24-13-5-7-14(8-6-13)25-33(4,31)32/h5-8,11-12,25,28H,9-10H2,1-4H3,(H,23,30)(H,24,29).
What are the key properties of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide?
3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide has a molecular weight of 474.54 g/mol, XLogP of 2.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide is sourced from PubChem (CID 87454774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).