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

C25H21ClN4O2S — CID 144621815

IUPACN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(N2CCCS2=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1
InChIInChI=1S/C25H21ClN4O2S/c1-16-14-18(30-12-3-13-33(30)32)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)
InChIKeyOEXUCBPNWMZDRV-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.38
Rot. Bonds4

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

N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 144621815) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID144621815
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC NameN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(N2CCCS2=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1
InChIInChI=1S/C25H21ClN4O2S/c1-16-14-18(30-12-3-13-33(30)32)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)
InChIKeyOEXUCBPNWMZDRV-UHFFFAOYSA-N
XLogP5.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (CID 144621815) is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is Cc1cc(N2CCCS2=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1.
What is the InChIKey of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is OEXUCBPNWMZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c1-16-14-18(30-12-3-13-33(30)32)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]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 476.99 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 144621815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).