2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide

C29H27N7O8S2 — CID 4119855

IUPAC2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)n3)cc2)c1C
InChIInChI=1S/C29H27N7O8S2/c1-16-18(3)33-43-28(16)35-45(39,40)22-12-8-20(9-13-22)30-26(37)24-6-5-7-25(32-24)27(38)31-21-10-14-23(15-11-21)46(41,42)36-29-17(2)19(4)34-44-29/h5-15,35-36H,1-4H3,(H,30,37)(H,31,38)
InChIKeyYFHSOWBMHOMHNV-UHFFFAOYSA-N
MW665.71 g/mol
LogP4.40
Rot. Bonds10

About 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide (PubChem CID 4119855) has the molecular formula C29H27N7O8S2 and a molecular weight of 665.71 g/mol. Its IUPAC name is 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
PubChem CID4119855
Molecular FormulaC29H27N7O8S2
Molecular Weight665.71 g/mol
Exact Mass665.14
IUPAC Name2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)n3)cc2)c1C
InChIInChI=1S/C29H27N7O8S2/c1-16-18(3)33-43-28(16)35-45(39,40)22-12-8-20(9-13-22)30-26(37)24-6-5-7-25(32-24)27(38)31-21-10-14-23(15-11-21)46(41,42)36-29-17(2)19(4)34-44-29/h5-15,35-36H,1-4H3,(H,30,37)(H,31,38)
InChIKeyYFHSOWBMHOMHNV-UHFFFAOYSA-N
XLogP4.40
TPSA215.49 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.71
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 108797463
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110501459
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119129
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide (CID 4119855) is 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)n3)cc2)c1C.
What is the InChIKey of 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is YFHSOWBMHOMHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O8S2/c1-16-18(3)33-43-28(16)35-45(39,40)22-12-8-20(9-13-22)30-26(37)24-6-5-7-25(32-24)27(38)31-21-10-14-23(15-11-21)46(41,42)36-29-17(2)19(4)34-44-29/h5-15,35-36H,1-4H3,(H,30,37)(H,31,38).
What are the key properties of 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 665.71 g/mol, XLogP of 4.40, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4119855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).