3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide

C25H30N2O5S — CID 53105268

IUPAC3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2c(C)c(C)cc3c(C)c(C(=O)N4CCOCC4)oc23)c(C)c1
InChIInChI=1S/C25H30N2O5S/c1-14-11-16(3)21(17(4)12-14)26-33(29,30)24-18(5)15(2)13-20-19(6)22(32-23(20)24)25(28)27-7-9-31-10-8-27/h11-13,26H,7-10H2,1-6H3
InChIKeyGLVIBXVPGPOZJF-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.56
Rot. Bonds4

About 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide

3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide (PubChem CID 53105268) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide
PubChem CID53105268
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2c(C)c(C)cc3c(C)c(C(=O)N4CCOCC4)oc23)c(C)c1
InChIInChI=1S/C25H30N2O5S/c1-14-11-16(3)21(17(4)12-14)26-33(29,30)24-18(5)15(2)13-20-19(6)22(32-23(20)24)25(28)27-7-9-31-10-8-27/h11-13,26H,7-10H2,1-6H3
InChIKeyGLVIBXVPGPOZJF-UHFFFAOYSA-N
XLogP4.56
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3,5,6-trimethyl-2-(morpholine-4-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105283
3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-7-sulfonamide
CID 95084840
3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(pyridin-3-ylmethyl)-1-benzofuran-7-sulfonamide
CID 53105219
N-(5-chloro-2-methylphenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105052
N-(4-methoxyphenyl)-3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105118
N-(3-bromophenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105105
N-(5-chloro-2-methylphenyl)-3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105126
2-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonamide
CID 53105317
2-(azepane-1-carbonyl)-N-(2,5-difluorophenyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonamide
CID 53105310
N-(4-chloro-2-fluorophenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105093
N-(3-chloro-4-fluorophenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105090
N-(3-acetylphenyl)-3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105169

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide?
The IUPAC name of 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide (CID 53105268) is 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide?
The canonical SMILES for 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2c(C)c(C)cc3c(C)c(C(=O)N4CCOCC4)oc23)c(C)c1.
What is the InChIKey of 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide?
The InChIKey is GLVIBXVPGPOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-14-11-16(3)21(17(4)12-14)26-33(29,30)24-18(5)15(2)13-20-19(6)22(32-23(20)24)25(28)27-7-9-31-10-8-27/h11-13,26H,7-10H2,1-6H3.
What are the key properties of 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide?
3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide has a molecular weight of 470.59 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 53105268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).