4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide

C24H27N3O4S — CID 58988094

IUPAC4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(C)n1
InChIInChI=1S/C24H27N3O4S/c1-15-11-19(12-16(2)26-15)31-22-13-17(24(3,4)5)9-10-21(22)23(28)27-18-7-6-8-20(14-18)32(25,29)30/h6-14H,1-5H3,(H,27,28)(H2,25,29,30)
InChIKeyZTTRMQYXRJJWFM-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.69
Rot. Bonds5

About 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide

4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide (PubChem CID 58988094) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide
PubChem CID58988094
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(C)n1
InChIInChI=1S/C24H27N3O4S/c1-15-11-19(12-16(2)26-15)31-22-13-17(24(3,4)5)9-10-21(22)23(28)27-18-7-6-8-20(14-18)32(25,29)30/h6-14H,1-5H3,(H,27,28)(H2,25,29,30)
InChIKeyZTTRMQYXRJJWFM-UHFFFAOYSA-N
XLogP4.69
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 58988096
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
2-(4-chloro-2-methoxyphenoxy)-4-(1,1,2,2,2-pentafluoroethyl)-N-(3-sulfamoylphenyl)benzamide
CID 90466907
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
4-methyl-N-(3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79487576
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 25263014
2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethoxy)benzamide
CID 121369794

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide (CID 58988094) is 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide is Cc1cc(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(C)n1.
What is the InChIKey of 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is ZTTRMQYXRJJWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-15-11-19(12-16(2)26-15)31-22-13-17(24(3,4)5)9-10-21(22)23(28)27-18-7-6-8-20(14-18)32(25,29)30/h6-14H,1-5H3,(H,27,28)(H2,25,29,30).
What are the key properties of 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide?
4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 453.56 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 58988094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).