8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate

C52H58N8O11S2 — CID 90711305

IUPAC8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate
SMILESCCCS(=O)(=O)N(C)c1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(O)c2ncccc12.CCCS(=O)(=O)Nc1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(OC(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C29H30N4O6S.C23H28N4O5S/c1-5-17-40(36,37)33-26-22-15-10-16-30-23(22)25(39-28(35)19-11-7-6-8-12-19)24(31-26)27(34)32-29(2,3)20-13-9-14-21(18-20)38-4;1-6-13-33(30,31)27(4)21-17-11-8-12-24-18(17)20(28)19(25-21)22(29)26-23(2,3)15-9-7-10-16(14-15)32-5/h6-16,18H,5,17H2,1-4H3,(H,31,33)(H,32,34);7-12,14,28H,6,13H2,1-5H3,(H,26,29)
InChIKeyMEBKECWGQXQXLS-UHFFFAOYSA-N
MW1035.21 g/mol
LogP7.86
Rot. Bonds18

About 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate

8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate (PubChem CID 90711305) has the molecular formula C52H58N8O11S2 and a molecular weight of 1035.21 g/mol. Its IUPAC name is 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate.

Molecular Properties

Compound Name8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate
PubChem CID90711305
Molecular FormulaC52H58N8O11S2
Molecular Weight1035.21 g/mol
Exact Mass1034.37
IUPAC Name8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate
SMILESCCCS(=O)(=O)N(C)c1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(O)c2ncccc12.CCCS(=O)(=O)Nc1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(OC(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C29H30N4O6S.C23H28N4O5S/c1-5-17-40(36,37)33-26-22-15-10-16-30-23(22)25(39-28(35)19-11-7-6-8-12-19)24(31-26)27(34)32-29(2,3)20-13-9-14-21(18-20)38-4;1-6-13-33(30,31)27(4)21-17-11-8-12-24-18(17)20(28)19(25-21)22(29)26-23(2,3)15-9-7-10-16(14-15)32-5/h6-16,18H,5,17H2,1-4H3,(H,31,33)(H,32,34);7-12,14,28H,6,13H2,1-5H3,(H,26,29)
InChIKeyMEBKECWGQXQXLS-UHFFFAOYSA-N
XLogP7.86
TPSA258.30 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.21
LogP ≤ 57.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate with MolForge

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Related Compounds

8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide
CID 59854219
5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide
CID 89291052
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 142807716
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
8-hydroxy-N-(3-methoxyphenyl)quinoline-4-sulfonamide
CID 11158687
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2259138
N-[(E,1S)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]-3-methoxybenzamide
CID 2259219
1-[(3-methoxyphenyl)methyl]-3-[2-[3-[2-[(3-methoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27060588

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate?
The IUPAC name of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate (CID 90711305) is 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate.
What is the SMILES notation for 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate?
The canonical SMILES for 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate is CCCS(=O)(=O)N(C)c1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(O)c2ncccc12.CCCS(=O)(=O)Nc1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(OC(=O)c2ccccc2)c2ncccc12.
What is the InChIKey of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate?
The InChIKey is MEBKECWGQXQXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6S.C23H28N4O5S/c1-5-17-40(36,37)33-26-22-15-10-16-30-23(22)25(39-28(35)19-11-7-6-8-12-19)24(31-26)27(34)32-29(2,3)20-13-9-14-21(18-20)38-4;1-6-13-33(30,31)27(4)21-17-11-8-12-24-18(17)20(28)19(25-21)22(29)26-23(2,3)15-9-7-10-16(14-15)32-5/h6-16,18H,5,17H2,1-4H3,(H,31,33)(H,32,34);7-12,14,28H,6,13H2,1-5H3,(H,26,29).
What are the key properties of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate?
8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate has a molecular weight of 1035.21 g/mol, XLogP of 7.86, 18 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate is sourced from PubChem (CID 90711305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).