N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide

C107H99ClN14O12S4 — CID 159454278

IUPACN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
SMILESCc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ccccc23)c1.Cc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ccccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C28H27N3O3S.C27H25N3O3S.C26H23ClN4O3S.C26H24N4O3S/c1-19-9-10-22(18-26(19)27-25-8-4-3-7-21(25)13-14-29-27)30-28(32)24-12-11-23(17-20(24)2)31-15-5-6-16-35(31,33)34;1-19-8-12-22(18-24(19)26-15-11-20-6-2-3-7-25(20)29-26)28-27(31)21-9-13-23(14-10-21)30-16-4-5-17-34(30,32)33;1-17-14-20(31-12-2-3-13-35(31,33)34)6-7-21(17)26(32)29-19-5-8-23(27)22(15-19)25-9-4-18-16-28-11-10-24(18)30-25;1-18-6-9-20(17-22(18)23-12-13-24-25(29-23)5-4-14-27-24)28-26(31)19-7-10-21(11-8-19)30-15-2-3-16-34(30,32)33/h3-4,7-14,17-18H,5-6,15-16H2,1-2H3,(H,30,32);2-3,6-15,18H,4-5,16-17H2,1H3,(H,28,31);4-11,14-16H,2-3,12-13H2,1H3,(H,29,32);4-14,17H,2-3,15-16H2,1H3,(H,28,31)
InChIKeyLTTPHUMMZJKJEU-UHFFFAOYSA-N
MW1936.78 g/mol
LogP21.32
Rot. Bonds16

About N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide

N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide (PubChem CID 159454278) has the molecular formula C107H99ClN14O12S4 and a molecular weight of 1936.78 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
PubChem CID159454278
Molecular FormulaC107H99ClN14O12S4
Molecular Weight1936.78 g/mol
Exact Mass1934.61
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
SMILESCc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ccccc23)c1.Cc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ccccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C28H27N3O3S.C27H25N3O3S.C26H23ClN4O3S.C26H24N4O3S/c1-19-9-10-22(18-26(19)27-25-8-4-3-7-21(25)13-14-29-27)30-28(32)24-12-11-23(17-20(24)2)31-15-5-6-16-35(31,33)34;1-19-8-12-22(18-24(19)26-15-11-20-6-2-3-7-25(20)29-26)28-27(31)21-9-13-23(14-10-21)30-16-4-5-17-34(30,32)33;1-17-14-20(31-12-2-3-13-35(31,33)34)6-7-21(17)26(32)29-19-5-8-23(27)22(15-19)25-9-4-18-16-28-11-10-24(18)30-25;1-18-6-9-20(17-22(18)23-12-13-24-25(29-23)5-4-14-27-24)28-26(31)19-7-10-21(11-8-19)30-15-2-3-16-34(30,32)33/h3-4,7-14,17-18H,5-6,15-16H2,1-2H3,(H,30,32);2-3,6-15,18H,4-5,16-17H2,1H3,(H,28,31);4-11,14-16H,2-3,12-13H2,1H3,(H,29,32);4-14,17H,2-3,15-16H2,1H3,(H,28,31)
InChIKeyLTTPHUMMZJKJEU-UHFFFAOYSA-N
XLogP21.32
TPSA343.26 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.78
LogP ≤ 521.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide with MolForge

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Related Compounds

N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide
CID 118462984
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159088662
3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 161767633
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(ethylsulfonylamino)benzamide
CID 71263528
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90129763
N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 90129769
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90129773
N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-methylbenzamide
CID 90129801
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide
CID 90129802
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazepan-2-yl)-2-methylbenzamide
CID 90129816
2-chloro-4-(1,1-dioxothiazepan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide
CID 90129817
N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90129828

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide (CID 159454278) is N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide is Cc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ccccc23)c1.Cc1cc(N2CCCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ccccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
The InChIKey is LTTPHUMMZJKJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S.C27H25N3O3S.C26H23ClN4O3S.C26H24N4O3S/c1-19-9-10-22(18-26(19)27-25-8-4-3-7-21(25)13-14-29-27)30-28(32)24-12-11-23(17-20(24)2)31-15-5-6-16-35(31,33)34;1-19-8-12-22(18-24(19)26-15-11-20-6-2-3-7-25(20)29-26)28-27(31)21-9-13-23(14-10-21)30-16-4-5-17-34(30,32)33;1-17-14-20(31-12-2-3-13-35(31,33)34)6-7-21(17)26(32)29-19-5-8-23(27)22(15-19)25-9-4-18-16-28-11-10-24(18)30-25;1-18-6-9-20(17-22(18)23-12-13-24-25(29-23)5-4-14-27-24)28-26(31)19-7-10-21(11-8-19)30-15-2-3-16-34(30,32)33/h3-4,7-14,17-18H,5-6,15-16H2,1-2H3,(H,30,32);2-3,6-15,18H,4-5,16-17H2,1H3,(H,28,31);4-11,14-16H,2-3,12-13H2,1H3,(H,29,32);4-14,17H,2-3,15-16H2,1H3,(H,28,31).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide has a molecular weight of 1936.78 g/mol, XLogP of 21.32, 16 rotatable bonds, 4 hydrogen bond donors, and 18 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-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide is sourced from PubChem (CID 159454278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).