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

C24H20ClN5O3S — CID 90130120

IUPAC2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCNS3(=O)=O)cc2Cl)cc1-c1nccc2ncccc12
InChIInChI=1S/C24H20ClN5O3S/c1-15-4-5-16(13-20(15)23-19-3-2-9-26-22(19)8-10-27-23)29-24(31)18-7-6-17(14-21(18)25)30-12-11-28-34(30,32)33/h2-10,13-14,28H,11-12H2,1H3,(H,29,31)
InChIKeyTWDWMNAVJZBOGM-UHFFFAOYSA-N
MW493.98 g/mol
LogP4.17
Rot. Bonds4

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

2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide (PubChem CID 90130120) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide
PubChem CID90130120
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC Name2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCNS3(=O)=O)cc2Cl)cc1-c1nccc2ncccc12
InChIInChI=1S/C24H20ClN5O3S/c1-15-4-5-16(13-20(15)23-19-3-2-9-26-22(19)8-10-27-23)29-24(31)18-7-6-17(14-21(18)25)30-12-11-28-34(30,32)33/h2-10,13-14,28H,11-12H2,1H3,(H,29,31)
InChIKeyTWDWMNAVJZBOGM-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide (CID 90130120) is 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(N3CCNS3(=O)=O)cc2Cl)cc1-c1nccc2ncccc12.
What is the InChIKey of 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The InChIKey is TWDWMNAVJZBOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c1-15-4-5-16(13-20(15)23-19-3-2-9-26-22(19)8-10-27-23)29-24(31)18-7-6-17(14-21(18)25)30-12-11-28-34(30,32)33/h2-10,13-14,28H,11-12H2,1H3,(H,29,31).
What are the key properties of 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide 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 2-chloro-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide is sourced from PubChem (CID 90130120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).