5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide

C25H26N4O4S — CID 55763912

IUPAC5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C25H26N4O4S/c1-16-8-10-20(34(31,32)29-25(3,4)5)14-21(16)23(30)28-22-11-9-19(13-17(22)2)33-24-18(15-26)7-6-12-27-24/h6-14,29H,1-5H3,(H,28,30)
InChIKeyXDBNCWUCAHULET-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.69
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide (PubChem CID 55763912) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
PubChem CID55763912
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C25H26N4O4S/c1-16-8-10-20(34(31,32)29-25(3,4)5)14-21(16)23(30)28-22-11-9-19(13-17(22)2)33-24-18(15-26)7-6-12-27-24/h6-14,29H,1-5H3,(H,28,30)
InChIKeyXDBNCWUCAHULET-UHFFFAOYSA-N
XLogP4.69
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 167915628
5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
CID 55896349
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 46428399
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 60532096
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46428401
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576700
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56560913
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 51114372
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55764190

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide (CID 55763912) is 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide?
The InChIKey is XDBNCWUCAHULET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-16-8-10-20(34(31,32)29-25(3,4)5)14-21(16)23(30)28-22-11-9-19(13-17(22)2)33-24-18(15-26)7-6-12-27-24/h6-14,29H,1-5H3,(H,28,30).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide has a molecular weight of 478.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide is sourced from PubChem (CID 55763912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).