N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide

C22H21BrN2O4S — CID 53004541

IUPACN-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-15-12-16(2)25(14-20(26)24-13-17-6-4-3-5-7-17)22(27)21(15)30(28,29)19-10-8-18(23)9-11-19/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeySAMMGLWGGYIZFZ-UHFFFAOYSA-N
MW489.39 g/mol
LogP3.38
Rot. Bonds6

About N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide

N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 53004541) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
PubChem CID53004541
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-15-12-16(2)25(14-20(26)24-13-17-6-4-3-5-7-17)22(27)21(15)30(28,29)19-10-8-18(23)9-11-19/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeySAMMGLWGGYIZFZ-UHFFFAOYSA-N
XLogP3.38
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (CID 53004541) is N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is Cc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is SAMMGLWGGYIZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-15-12-16(2)25(14-20(26)24-13-17-6-4-3-5-7-17)22(27)21(15)30(28,29)19-10-8-18(23)9-11-19/h3-12H,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 489.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53004541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).