N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide

C24H19ClN4O4S — CID 118463107

IUPACN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1
InChIInChI=1S/C24H19ClN4O4S/c25-21-8-5-17(14-20(21)23-19-2-1-10-26-22(19)9-11-27-23)28-24(30)16-3-6-18(7-4-16)29-15-33-12-13-34(29,31)32/h1-11,14H,12-13,15H2,(H,28,30)
InChIKeyFHRDRHHNLSBPMY-UHFFFAOYSA-N
MW494.96 g/mol
LogP4.33
Rot. Bonds4

About N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide (PubChem CID 118463107) has the molecular formula C24H19ClN4O4S and a molecular weight of 494.96 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
PubChem CID118463107
Molecular FormulaC24H19ClN4O4S
Molecular Weight494.96 g/mol
Exact Mass494.08
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1
InChIInChI=1S/C24H19ClN4O4S/c25-21-8-5-17(14-20(21)23-19-2-1-10-26-22(19)9-11-27-23)28-24(30)16-3-6-18(7-4-16)29-15-33-12-13-34(29,31)32/h1-11,14H,12-13,15H2,(H,28,30)
InChIKeyFHRDRHHNLSBPMY-UHFFFAOYSA-N
XLogP4.33
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichloropyridin-4-yl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865620
6-chloro-N-[4-(4-morpholinylcarbonyl)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide
CID 2220569
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4064436
N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71537903
N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
CID 71537904
N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71537905
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(3,3-dihydroxy-1,3,4-oxathiazinan-4-yl)-2-fluorobenzamide
CID 90117835
N-(4-chloro-3-(1,6-naphthyridin-5-yl)phenyl)-4-(3,3-dioxido-1,3,4-oxathiazinan-4-yl)-2-fluorobenzamide
CID 90117836
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,3-dihydroxy-1,3,4-oxathiazinan-4-yl)-2-fluorobenzamide
CID 90117837
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(3,3-dioxido-1,3,4-oxathiazinan-4-yl)-2-fluorobenzamide
CID 90117838
4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
CID 90129758
N-[4-chloro-3-[5-(trifluoromethyl)pyridin-2-yl]phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 90129771

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide (CID 118463107) is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The InChIKey is FHRDRHHNLSBPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4S/c25-21-8-5-17(14-20(21)23-19-2-1-10-26-22(19)9-11-27-23)28-24(30)16-3-6-18(7-4-16)29-15-33-12-13-34(29,31)32/h1-11,14H,12-13,15H2,(H,28,30).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide has a molecular weight of 494.96 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide is sourced from PubChem (CID 118463107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).