N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide

C23H17ClN4O3S — CID 90129802

IUPACN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCS2(=O)=O)cc1
InChIInChI=1S/C23H17ClN4O3S/c24-20-8-5-16(14-19(20)22-18-2-1-10-25-21(18)9-11-26-22)27-23(29)15-3-6-17(7-4-15)28-12-13-32(28,30)31/h1-11,14H,12-13H2,(H,27,29)
InChIKeyFLTDBNKGDGZZQF-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.35
Rot. Bonds4

About N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide (PubChem CID 90129802) has the molecular formula C23H17ClN4O3S and a molecular weight of 464.93 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide
PubChem CID90129802
Molecular FormulaC23H17ClN4O3S
Molecular Weight464.93 g/mol
Exact Mass464.07
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCS2(=O)=O)cc1
InChIInChI=1S/C23H17ClN4O3S/c24-20-8-5-16(14-19(20)22-18-2-1-10-25-21(18)9-11-26-22)27-23(29)15-3-6-17(7-4-15)28-12-13-32(28,30)31/h1-11,14H,12-13H2,(H,27,29)
InChIKeyFLTDBNKGDGZZQF-UHFFFAOYSA-N
XLogP4.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide (CID 90129802) is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide?
The InChIKey is FLTDBNKGDGZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3S/c24-20-8-5-16(14-19(20)22-18-2-1-10-25-21(18)9-11-26-22)27-23(29)15-3-6-17(7-4-15)28-12-13-32(28,30)31/h1-11,14H,12-13H2,(H,27,29).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide?
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide has a molecular weight of 464.93 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide is sourced from PubChem (CID 90129802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).