N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

C25H21ClN4O3S — CID 90130077

IUPACN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1
InChIInChI=1S/C25H21ClN4O3S/c1-16-14-18(30-12-3-13-34(30,32)33)6-7-19(16)25(31)28-17-5-8-21(26)20(15-17)22-9-10-23-24(29-22)4-2-11-27-23/h2,4-11,14-15H,3,12-13H2,1H3,(H,28,31)
InChIKeyJHVXCVGPCVVNLS-UHFFFAOYSA-N
MW492.99 g/mol
LogP5.05
Rot. Bonds4

About N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (PubChem CID 90130077) has the molecular formula C25H21ClN4O3S and a molecular weight of 492.99 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
PubChem CID90130077
Molecular FormulaC25H21ClN4O3S
Molecular Weight492.99 g/mol
Exact Mass492.10
IUPAC NameN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1
InChIInChI=1S/C25H21ClN4O3S/c1-16-14-18(30-12-3-13-34(30,32)33)6-7-19(16)25(31)28-17-5-8-21(26)20(15-17)22-9-10-23-24(29-22)4-2-11-27-23/h2,4-11,14-15H,3,12-13H2,1H3,(H,28,31)
InChIKeyJHVXCVGPCVVNLS-UHFFFAOYSA-N
XLogP5.05
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 55.05
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-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (CID 90130077) is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1.
What is the InChIKey of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The InChIKey is JHVXCVGPCVVNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3S/c1-16-14-18(30-12-3-13-34(30,32)33)6-7-19(16)25(31)28-17-5-8-21(26)20(15-17)22-9-10-23-24(29-22)4-2-11-27-23/h2,4-11,14-15H,3,12-13H2,1H3,(H,28,31).
What are the key properties of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide has a molecular weight of 492.99 g/mol, XLogP of 5.05, 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-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 90130077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).