N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide

C102H92Cl2N18O13S4 — CID 158539693

IUPACN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
SMILESCc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ccccc23)c1.Cc1ccc(NC(=O)c2ccc(N3CCCN(C)S3(=O)=O)cc2C#N)cc1-c1nccc2ccccc12.O=C(Nc1ccc(Cl)c(-c2ccc3[nH]ccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3occc23)c1)c1ccc(N2CCCNS2(=O)=O)cc1
InChIInChI=1S/C28H25N5O3S.C28H28N4O3S.C23H20ClN5O3S.C23H19ClN4O4S/c1-19-8-9-22(17-26(19)27-24-7-4-3-6-20(24)12-13-30-27)31-28(34)25-11-10-23(16-21(25)18-29)33-15-5-14-32(2)37(33,35)36;1-19-9-10-22(18-26(19)27-25-8-5-4-7-21(25)13-14-29-27)30-28(33)24-12-11-23(17-20(24)2)32-16-6-15-31(3)36(32,34)35;24-19-7-4-16(14-18(19)20-8-9-21-22(28-20)10-12-25-21)27-23(30)15-2-5-17(6-3-15)29-13-1-11-26-33(29,31)32;24-20-7-4-16(14-19(20)22-18-9-13-32-21(18)8-11-25-22)27-23(29)15-2-5-17(6-3-15)28-12-1-10-26-33(28,30)31/h3-4,6-13,16-17H,5,14-15H2,1-2H3,(H,31,34);4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,30,33);2-10,12,14,25-26H,1,11,13H2,(H,27,30);2-9,11,13-14,26H,1,10,12H2,(H,27,29)
InChIKeyHOJGJCULQZIKBO-UHFFFAOYSA-N
MW1977.14 g/mol
LogP18.50
Rot. Bonds16

About N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide

N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide (PubChem CID 158539693) has the molecular formula C102H92Cl2N18O13S4 and a molecular weight of 1977.14 g/mol. Its IUPAC name is N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
PubChem CID158539693
Molecular FormulaC102H92Cl2N18O13S4
Molecular Weight1977.14 g/mol
Exact Mass1974.54
IUPAC NameN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
SMILESCc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ccccc23)c1.Cc1ccc(NC(=O)c2ccc(N3CCCN(C)S3(=O)=O)cc2C#N)cc1-c1nccc2ccccc12.O=C(Nc1ccc(Cl)c(-c2ccc3[nH]ccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3occc23)c1)c1ccc(N2CCCNS2(=O)=O)cc1
InChIInChI=1S/C28H25N5O3S.C28H28N4O3S.C23H20ClN5O3S.C23H19ClN4O4S/c1-19-8-9-22(17-26(19)27-24-7-4-3-6-20(24)12-13-30-27)31-28(34)25-11-10-23(16-21(25)18-29)33-15-5-14-32(2)37(33,35)36;1-19-9-10-22(18-26(19)27-25-8-5-4-7-21(25)13-14-29-27)30-28(33)24-12-11-23(17-20(24)2)32-16-6-15-31(3)36(32,34)35;24-19-7-4-16(14-18(19)20-8-9-21-22(28-20)10-12-25-21)27-23(30)15-2-5-17(6-3-15)29-13-1-11-26-33(29,31)32;24-20-7-4-16(14-19(20)22-18-9-13-32-21(18)8-11-25-22)27-23(29)15-2-5-17(6-3-15)28-12-1-10-26-33(28,30)31/h3-4,6-13,16-17H,5,14-15H2,1-2H3,(H,31,34);4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,30,33);2-10,12,14,25-26H,1,11,13H2,(H,27,30);2-9,11,13-14,26H,1,10,12H2,(H,27,29)
InChIKeyHOJGJCULQZIKBO-UHFFFAOYSA-N
XLogP18.50
TPSA400.74 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.14
LogP ≤ 518.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide with MolForge

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Related Compounds

N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130277
N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130248
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-2-methylbenzamide
CID 118466566
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide
CID 90129976
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
CID 90130505
2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-2-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
CID 157225817
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621769
4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzamide
CID 118463170
N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(1-oxothiazetidin-2-yl)benzamide
CID 144621779
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide
CID 90129985
butane;N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,2,6-thiadiazinan-2-yl)benzamide
CID 144621480
2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 158606981

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
The IUPAC name of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide (CID 158539693) is N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide is Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ccccc23)c1.Cc1ccc(NC(=O)c2ccc(N3CCCN(C)S3(=O)=O)cc2C#N)cc1-c1nccc2ccccc12.O=C(Nc1ccc(Cl)c(-c2ccc3[nH]ccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3occc23)c1)c1ccc(N2CCCNS2(=O)=O)cc1.
What is the InChIKey of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
The InChIKey is HOJGJCULQZIKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3S.C28H28N4O3S.C23H20ClN5O3S.C23H19ClN4O4S/c1-19-8-9-22(17-26(19)27-24-7-4-3-6-20(24)12-13-30-27)31-28(34)25-11-10-23(16-21(25)18-29)33-15-5-14-32(2)37(33,35)36;1-19-9-10-22(18-26(19)27-25-8-5-4-7-21(25)13-14-29-27)30-28(33)24-12-11-23(17-20(24)2)32-16-6-15-31(3)36(32,34)35;24-19-7-4-16(14-18(19)20-8-9-21-22(28-20)10-12-25-21)27-23(30)15-2-5-17(6-3-15)29-13-1-11-26-33(29,31)32;24-20-7-4-16(14-19(20)22-18-9-13-32-21(18)8-11-25-22)27-23(29)15-2-5-17(6-3-15)28-12-1-10-26-33(28,30)31/h3-4,6-13,16-17H,5,14-15H2,1-2H3,(H,31,34);4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,30,33);2-10,12,14,25-26H,1,11,13H2,(H,27,30);2-9,11,13-14,26H,1,10,12H2,(H,27,29).
What are the key properties of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide has a molecular weight of 1977.14 g/mol, XLogP of 18.50, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-cyano-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide is sourced from PubChem (CID 158539693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).