5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide

C25H37N3O5S2 — CID 5067278

IUPAC5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C25H37N3O5S2/c1-7-27(8-2)23-12-11-21(35(31,32)28-13-15-33-16-14-28)18-22(23)26-34(29,30)24-17-20(25(4,5)6)10-9-19(24)3/h9-12,17-18,26H,7-8,13-16H2,1-6H3
InChIKeyNCZRJWLRFREIKR-UHFFFAOYSA-N
MW523.72 g/mol
LogP3.96
Rot. Bonds8

About 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide

5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide (PubChem CID 5067278) has the molecular formula C25H37N3O5S2 and a molecular weight of 523.72 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide
PubChem CID5067278
Molecular FormulaC25H37N3O5S2
Molecular Weight523.72 g/mol
Exact Mass523.22
IUPAC Name5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C25H37N3O5S2/c1-7-27(8-2)23-12-11-21(35(31,32)28-13-15-33-16-14-28)18-22(23)26-34(29,30)24-17-20(25(4,5)6)10-9-19(24)3/h9-12,17-18,26H,7-8,13-16H2,1-6H3
InChIKeyNCZRJWLRFREIKR-UHFFFAOYSA-N
XLogP3.96
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 26952024
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylfuran-3-carboxamide
CID 55382027
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methylphenoxy)acetamide
CID 30587504
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
[2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 24820046
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 31544121
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide (CID 5067278) is 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide?
The InChIKey is NCZRJWLRFREIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5S2/c1-7-27(8-2)23-12-11-21(35(31,32)28-13-15-33-16-14-28)18-22(23)26-34(29,30)24-17-20(25(4,5)6)10-9-19(24)3/h9-12,17-18,26H,7-8,13-16H2,1-6H3.
What are the key properties of 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide?
5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide has a molecular weight of 523.72 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 5067278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).