3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide

C32H34N2O7S — CID 23288582

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(C(=O)Nc2ccccc2)cc1OCCO
InChIInChI=1S/C32H34N2O7S/c1-32(2,3)23-14-16-25(17-15-23)42(37,38)34-26-20-22(31(36)33-24-10-6-5-7-11-24)21-29(40-19-18-35)30(26)41-28-13-9-8-12-27(28)39-4/h5-17,20-21,34-35H,18-19H2,1-4H3,(H,33,36)
InChIKeyZRKZNDTWTWJYCM-UHFFFAOYSA-N
MW590.70 g/mol
LogP6.21
Rot. Bonds11

About 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide

3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide (PubChem CID 23288582) has the molecular formula C32H34N2O7S and a molecular weight of 590.70 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide
PubChem CID23288582
Molecular FormulaC32H34N2O7S
Molecular Weight590.70 g/mol
Exact Mass590.21
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(C(=O)Nc2ccccc2)cc1OCCO
InChIInChI=1S/C32H34N2O7S/c1-32(2,3)23-14-16-25(17-15-23)42(37,38)34-26-20-22(31(36)33-24-10-6-5-7-11-24)21-29(40-19-18-35)30(26)41-28-13-9-8-12-27(28)39-4/h5-17,20-21,34-35H,18-19H2,1-4H3,(H,33,36)
InChIKeyZRKZNDTWTWJYCM-UHFFFAOYSA-N
XLogP6.21
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.70
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)benzoyl]amino]acetic acid
CID 23288704
3-[(4-tert-butylphenyl)sulfonylamino]-N-(cyanomethyl)-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)benzamide
CID 23288619
3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 23288590
CID 67849083
CID 67849083
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]benzenesulfonamide
CID 19432649
4-tert-butyl-N-[5-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)-3-(3-oxo-4-pyridin-2-ylbutoxy)phenyl]benzenesulfonamide
CID 157406254
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrochloride
CID 44514424
Bosentan potassium
CID 66744754
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 139615672
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-methylsulfonylpyrimidin-4-yl]benzenesulfonamide
CID 18931061
4-[(4-tert-butylphenyl)sulfonylamino]-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidine-2-diazonium
CID 44629287
4-tert-butyl-N-[6-(3-hydroxypropoxy)-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 139790288

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide (CID 23288582) is 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(C(=O)Nc2ccccc2)cc1OCCO.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide?
The InChIKey is ZRKZNDTWTWJYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O7S/c1-32(2,3)23-14-16-25(17-15-23)42(37,38)34-26-20-22(31(36)33-24-10-6-5-7-11-24)21-29(40-19-18-35)30(26)41-28-13-9-8-12-27(28)39-4/h5-17,20-21,34-35H,18-19H2,1-4H3,(H,33,36).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide?
3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide has a molecular weight of 590.70 g/mol, XLogP of 6.21, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)-N-phenylbenzamide is sourced from PubChem (CID 23288582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).