N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide

C105H93Cl2F2N15O12S4 — CID 158983051

IUPACN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCCS2(=O)=O)cc1F.O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCCS2(=O)=O)cc1
InChIInChI=1S/C27H25N3O3S.2C26H22ClFN4O3S.C26H24N4O3S/c31-27(21-11-13-24(14-12-21)30-17-4-1-5-18-34(30,32)33)29-23-9-6-8-22(19-23)26-25-10-3-2-7-20(25)15-16-28-26;27-22-8-5-18(14-21(22)25-9-4-17-16-29-11-10-24(17)31-25)30-26(33)20-7-6-19(15-23(20)28)32-12-2-1-3-13-36(32,34)35;27-22-9-6-17(15-21(22)25-20-5-4-11-29-24(20)10-12-30-25)31-26(33)19-8-7-18(16-23(19)28)32-13-2-1-3-14-36(32,34)35;31-26(19-9-11-22(12-10-19)30-16-2-1-3-17-34(30,32)33)28-21-7-4-6-20(18-21)23-13-14-24-25(29-23)8-5-15-27-24/h2-3,6-16,19H,1,4-5,17-18H2,(H,29,31);4-11,14-16H,1-3,12-13H2,(H,30,33);4-12,15-16H,1-3,13-14H2,(H,31,33);4-15,18H,1-3,16-17H2,(H,28,31)
InChIKeyJPFWHENKLWUAGC-UHFFFAOYSA-N
MW1994.16 g/mol
LogP21.67
Rot. Bonds16

About N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide

N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 158983051) has the molecular formula C105H93Cl2F2N15O12S4 and a molecular weight of 1994.16 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
PubChem CID158983051
Molecular FormulaC105H93Cl2F2N15O12S4
Molecular Weight1994.16 g/mol
Exact Mass1991.54
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCCS2(=O)=O)cc1F.O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCCS2(=O)=O)cc1
InChIInChI=1S/C27H25N3O3S.2C26H22ClFN4O3S.C26H24N4O3S/c31-27(21-11-13-24(14-12-21)30-17-4-1-5-18-34(30,32)33)29-23-9-6-8-22(19-23)26-25-10-3-2-7-20(25)15-16-28-26;27-22-8-5-18(14-21(22)25-9-4-17-16-29-11-10-24(17)31-25)30-26(33)20-7-6-19(15-23(20)28)32-12-2-1-3-13-36(32,34)35;27-22-9-6-17(15-21(22)25-20-5-4-11-29-24(20)10-12-30-25)31-26(33)19-8-7-18(16-23(19)28)32-13-2-1-3-14-36(32,34)35;31-26(19-9-11-22(12-10-19)30-16-2-1-3-17-34(30,32)33)28-21-7-4-6-20(18-21)23-13-14-24-25(29-23)8-5-15-27-24/h2-3,6-16,19H,1,4-5,17-18H2,(H,29,31);4-11,14-16H,1-3,12-13H2,(H,30,33);4-12,15-16H,1-3,13-14H2,(H,31,33);4-15,18H,1-3,16-17H2,(H,28,31)
InChIKeyJPFWHENKLWUAGC-UHFFFAOYSA-N
XLogP21.67
TPSA356.15 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.16
LogP ≤ 521.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide with MolForge

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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-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide (CID 158983051) is N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide is O=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCCS2(=O)=O)cc1F.O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is JPFWHENKLWUAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S.2C26H22ClFN4O3S.C26H24N4O3S/c31-27(21-11-13-24(14-12-21)30-17-4-1-5-18-34(30,32)33)29-23-9-6-8-22(19-23)26-25-10-3-2-7-20(25)15-16-28-26;27-22-8-5-18(14-21(22)25-9-4-17-16-29-11-10-24(17)31-25)30-26(33)20-7-6-19(15-23(20)28)32-12-2-1-3-13-36(32,34)35;27-22-9-6-17(15-21(22)25-20-5-4-11-29-24(20)10-12-30-25)31-26(33)19-8-7-18(16-23(19)28)32-13-2-1-3-14-36(32,34)35;31-26(19-9-11-22(12-10-19)30-16-2-1-3-17-34(30,32)33)28-21-7-4-6-20(18-21)23-13-14-24-25(29-23)8-5-15-27-24/h2-3,6-16,19H,1,4-5,17-18H2,(H,29,31);4-11,14-16H,1-3,12-13H2,(H,30,33);4-12,15-16H,1-3,13-14H2,(H,31,33);4-15,18H,1-3,16-17H2,(H,28,31).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 1994.16 g/mol, XLogP of 21.67, 16 rotatable bonds, 4 hydrogen bond donors, and 19 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-dioxothiazepan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-fluorobenzamide;4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazepan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 158983051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).