N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide

C23H24N4O4S — CID 58787249

IUPACN-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)N1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O
InChIInChI=1S/C23H24N4O4S/c1-32(30,31)27(18-19-8-3-2-4-9-19)26-17-7-16-25(23(26)29)21-13-11-20(12-14-21)24-15-6-5-10-22(24)28/h2-6,8-15H,7,16-18H2,1H3
InChIKeyVKSAEMBXFSXWRC-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide

N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide (PubChem CID 58787249) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide
PubChem CID58787249
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)N1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O
InChIInChI=1S/C23H24N4O4S/c1-32(30,31)27(18-19-8-3-2-4-9-19)26-17-7-16-25(23(26)29)21-13-11-20(12-14-21)24-15-6-5-10-22(24)28/h2-6,8-15H,7,16-18H2,1H3
InChIKeyVKSAEMBXFSXWRC-UHFFFAOYSA-N
XLogP2.85
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide
CID 91216007
N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
CID 58778144
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 42869133
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one
CID 167489788
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 50813915
methyl 2-[(6-chloronaphthalen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetate
CID 10099742
2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide
CID 10324406
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
CID 43831623

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide (CID 58787249) is N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)N1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O.
What is the InChIKey of N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide?
The InChIKey is VKSAEMBXFSXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-32(30,31)27(18-19-8-3-2-4-9-19)26-17-7-16-25(23(26)29)21-13-11-20(12-14-21)24-15-6-5-10-22(24)28/h2-6,8-15H,7,16-18H2,1H3.
What are the key properties of N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide?
N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide is sourced from PubChem (CID 58787249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).