N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide

C24H20ClN5O3S — CID 118466562

IUPACN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCNS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1
InChIInChI=1S/C24H20ClN5O3S/c1-15-12-18(30-11-10-27-34(30,32)33)4-5-19(15)24(31)28-17-3-6-21(25)20(13-17)23-7-2-16-14-26-9-8-22(16)29-23/h2-9,12-14,27H,10-11H2,1H3,(H,28,31)
InChIKeyLQSIZXNEZITVCU-UHFFFAOYSA-N
MW493.98 g/mol
LogP4.17
Rot. Bonds4

About N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide

N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide (PubChem CID 118466562) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide
PubChem CID118466562
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCNS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1
InChIInChI=1S/C24H20ClN5O3S/c1-15-12-18(30-11-10-27-34(30,32)33)4-5-19(15)24(31)28-17-3-6-21(25)20(13-17)23-7-2-16-14-26-9-8-22(16)29-23/h2-9,12-14,27H,10-11H2,1H3,(H,28,31)
InChIKeyLQSIZXNEZITVCU-UHFFFAOYSA-N
XLogP4.17
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide (CID 118466562) is N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide is Cc1cc(N2CCNS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide?
The InChIKey is LQSIZXNEZITVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c1-15-12-18(30-11-10-27-34(30,32)33)4-5-19(15)24(31)28-17-3-6-21(25)20(13-17)23-7-2-16-14-26-9-8-22(16)29-23/h2-9,12-14,27H,10-11H2,1H3,(H,28,31).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide?
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide has a molecular weight of 493.98 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 118466562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).