4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide

C27H31N3O5S — CID 58988096

IUPAC4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(Oc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C27H31N3O5S/c1-27(2,3)19-11-12-22(26(31)29-20-7-6-8-21(18-20)36(28,32)33)25(17-19)35-24-10-5-4-9-23(24)30-13-15-34-16-14-30/h4-12,17-18H,13-16H2,1-3H3,(H,29,31)(H2,28,32,33)
InChIKeyOMPDIHDUNVQOIR-UHFFFAOYSA-N
MW509.63 g/mol
LogP4.51
Rot. Bonds6

About 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide

4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 58988096) has the molecular formula C27H31N3O5S and a molecular weight of 509.63 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide
PubChem CID58988096
Molecular FormulaC27H31N3O5S
Molecular Weight509.63 g/mol
Exact Mass509.20
IUPAC Name4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(Oc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C27H31N3O5S/c1-27(2,3)19-11-12-22(26(31)29-20-7-6-8-21(18-20)36(28,32)33)25(17-19)35-24-10-5-4-9-23(24)30-13-15-34-16-14-30/h4-12,17-18H,13-16H2,1-3H3,(H,29,31)(H2,28,32,33)
InChIKeyOMPDIHDUNVQOIR-UHFFFAOYSA-N
XLogP4.51
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide
CID 58988094
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
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide
CID 155780988
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
N-(9-ethylcarbazol-3-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 35623772
(4-tert-butylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815045
2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 55629768
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide (CID 58988096) is 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(Oc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is OMPDIHDUNVQOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5S/c1-27(2,3)19-11-12-22(26(31)29-20-7-6-8-21(18-20)36(28,32)33)25(17-19)35-24-10-5-4-9-23(24)30-13-15-34-16-14-30/h4-12,17-18H,13-16H2,1-3H3,(H,29,31)(H2,28,32,33).
What are the key properties of 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 509.63 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-morpholin-4-ylphenoxy)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 58988096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).