4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide

C24H20N4O3S — CID 90129755

IUPAC4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C24H20N4O3S/c1-16-4-7-18(15-20(16)21-10-11-22-23(27-21)3-2-12-25-22)26-24(29)17-5-8-19(9-6-17)28-13-14-32(28,30)31/h2-12,15H,13-14H2,1H3,(H,26,29)
InChIKeyJWRGUQOHNPHYCL-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.01
Rot. Bonds4

About 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide

4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 90129755) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
PubChem CID90129755
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C24H20N4O3S/c1-16-4-7-18(15-20(16)21-10-11-22-23(27-21)3-2-12-25-22)26-24(29)17-5-8-19(9-6-17)28-13-14-32(28,30)31/h2-12,15H,13-14H2,1H3,(H,26,29)
InChIKeyJWRGUQOHNPHYCL-UHFFFAOYSA-N
XLogP4.01
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane
CID 144621048
4-(1,1-dioxothiazinan-2-yl)-2-methyl-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90130047
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 118462952
4-(1,1-dioxothiazetidin-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzamide
CID 118462918
2-(2-methylphenyl)pyridine;N-(4-methyl-3-quinolin-2-ylphenyl)-4-(thiazepan-2-yl)benzamide;propane
CID 144621648
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide
CID 90129985
4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 90129813
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 9490505
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
3-chloro-N-[2-chloro-5-[[4-(1,1-dioxothiazetidin-2-yl)benzoyl]amino]phenyl]benzamide
CID 90130427

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide (CID 90129755) is 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(N3CCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.
What is the InChIKey of 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is JWRGUQOHNPHYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-16-4-7-18(15-20(16)21-10-11-22-23(27-21)3-2-12-25-22)26-24(29)17-5-8-19(9-6-17)28-13-14-32(28,30)31/h2-12,15H,13-14H2,1H3,(H,26,29).
What are the key properties of 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 444.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 90129755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).