N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide

C97H83Cl4N19O12S5 — CID 160678359

IUPACN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
SMILESCc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1.Cc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCNS2(=O)=O)cc1
InChIInChI=1S/3C25H22ClN5O3S.C22H17ClN4O3S2/c1-16-13-19(31-12-11-30(2)35(31,33)34)5-6-20(16)25(32)28-18-4-7-22(26)21(14-18)24-8-3-17-15-27-10-9-23(17)29-24;1-16-14-18(31-13-12-30(2)35(31,33)34)6-7-19(16)25(32)28-17-5-8-21(26)20(15-17)22-9-10-23-24(29-22)4-3-11-27-23;1-16-13-19(31-12-11-30(2)35(31,33)34)8-9-20(16)25(32)28-18-7-10-22(26)21(14-18)24-27-15-17-5-3-4-6-23(17)29-24;23-19-6-3-15(13-18(19)21-17-8-12-31-20(17)7-9-24-21)26-22(28)14-1-4-16(5-2-14)27-11-10-25-32(27,29)30/h3-10,13-15H,11-12H2,1-2H3,(H,28,32);3-11,14-15H,12-13H2,1-2H3,(H,28,32);3-10,13-15H,11-12H2,1-2H3,(H,28,32);1-9,12-13,25H,10-11H2,(H,26,28)
InChIKeyRNUXZDDSWQGVSH-UHFFFAOYSA-N
MW2009.00 g/mol
LogP18.05
Rot. Bonds16

About N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide

N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide (PubChem CID 160678359) has the molecular formula C97H83Cl4N19O12S5 and a molecular weight of 2009.00 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
PubChem CID160678359
Molecular FormulaC97H83Cl4N19O12S5
Molecular Weight2009.00 g/mol
Exact Mass2005.38
IUPAC NameN-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
SMILESCc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1.Cc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCNS2(=O)=O)cc1
InChIInChI=1S/3C25H22ClN5O3S.C22H17ClN4O3S2/c1-16-13-19(31-12-11-30(2)35(31,33)34)5-6-20(16)25(32)28-18-4-7-22(26)21(14-18)24-8-3-17-15-27-10-9-23(17)29-24;1-16-14-18(31-13-12-30(2)35(31,33)34)6-7-19(16)25(32)28-17-5-8-21(26)20(15-17)22-9-10-23-24(29-22)4-3-11-27-23;1-16-13-19(31-12-11-30(2)35(31,33)34)8-9-20(16)25(32)28-18-7-10-22(26)21(14-18)24-27-15-17-5-3-4-6-23(17)29-24;23-19-6-3-15(13-18(19)21-17-8-12-31-20(17)7-9-24-21)26-22(28)14-1-4-16(5-2-14)27-11-10-25-32(27,29)30/h3-10,13-15H,11-12H2,1-2H3,(H,28,32);3-11,14-15H,12-13H2,1-2H3,(H,28,32);3-10,13-15H,11-12H2,1-2H3,(H,28,32);1-9,12-13,25H,10-11H2,(H,26,28)
InChIKeyRNUXZDDSWQGVSH-UHFFFAOYSA-N
XLogP18.05
TPSA377.90 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002009.00
LogP ≤ 518.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide with MolForge

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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-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide (CID 160678359) is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide is Cc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1.Cc1cc(N2CCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCNS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
The InChIKey is RNUXZDDSWQGVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H22ClN5O3S.C22H17ClN4O3S2/c1-16-13-19(31-12-11-30(2)35(31,33)34)5-6-20(16)25(32)28-18-4-7-22(26)21(14-18)24-8-3-17-15-27-10-9-23(17)29-24;1-16-14-18(31-13-12-30(2)35(31,33)34)6-7-19(16)25(32)28-17-5-8-21(26)20(15-17)22-9-10-23-24(29-22)4-3-11-27-23;1-16-13-19(31-12-11-30(2)35(31,33)34)8-9-20(16)25(32)28-18-7-10-22(26)21(14-18)24-27-15-17-5-3-4-6-23(17)29-24;23-19-6-3-15(13-18(19)21-17-8-12-31-20(17)7-9-24-21)26-22(28)14-1-4-16(5-2-14)27-11-10-25-32(27,29)30/h3-10,13-15H,11-12H2,1-2H3,(H,28,32);3-11,14-15H,12-13H2,1-2H3,(H,28,32);3-10,13-15H,11-12H2,1-2H3,(H,28,32);1-9,12-13,25H,10-11H2,(H,26,28).
What are the key properties of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide has a molecular weight of 2009.00 g/mol, XLogP of 18.05, 16 rotatable bonds, 5 hydrogen bond donors, and 20 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-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide is sourced from PubChem (CID 160678359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).