morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone

C25H28N2O5S — CID 95084842

IUPACmorpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone
SMILESCc1cc2c(C)c(C(=O)N3CCOCC3)oc2c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1C
InChIInChI=1S/C25H28N2O5S/c1-15-13-20-18(4)22(25(28)26-9-11-31-12-10-26)32-23(20)24(17(15)3)33(29,30)27-16(2)14-19-7-5-6-8-21(19)27/h5-8,13,16H,9-12,14H2,1-4H3/t16-/m0/s1
InChIKeyUGDYPGXUFNMLLB-INIZCTEOSA-N
MW468.58 g/mol
LogP3.97
Rot. Bonds3

About morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone

morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone (PubChem CID 95084842) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone
PubChem CID95084842
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Namemorpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone
SMILESCc1cc2c(C)c(C(=O)N3CCOCC3)oc2c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1C
InChIInChI=1S/C25H28N2O5S/c1-15-13-20-18(4)22(25(28)26-9-11-31-12-10-26)32-23(20)24(17(15)3)33(29,30)27-16(2)14-19-7-5-6-8-21(19)27/h5-8,13,16H,9-12,14H2,1-4H3/t16-/m0/s1
InChIKeyUGDYPGXUFNMLLB-INIZCTEOSA-N
XLogP3.97
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide
CID 53105268
azepan-1-yl-(3,5,6-trimethyl-7-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 53105345
azepan-1-yl-[3,5,6-trimethyl-7-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]methanone
CID 53105341
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
3-fluoro-4-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 167757923
2-(azepane-1-carbonyl)-N-benzyl-3,5,6-trimethyl-1-benzofuran-7-sulfonamide
CID 53105392
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107
2-(azepane-1-carbonyl)-N-ethyl-3,5,6-trimethyl-N-phenyl-1-benzofuran-7-sulfonamide
CID 53105332
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 43452427
7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 52528131

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone (CID 95084842) is morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone is Cc1cc2c(C)c(C(=O)N3CCOCC3)oc2c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1C.
What is the InChIKey of morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone?
The InChIKey is UGDYPGXUFNMLLB-INIZCTEOSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-15-13-20-18(4)22(25(28)26-9-11-31-12-10-26)32-23(20)24(17(15)3)33(29,30)27-16(2)14-19-7-5-6-8-21(19)27/h5-8,13,16H,9-12,14H2,1-4H3/t16-/m0/s1.
What are the key properties of morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone?
morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone has a molecular weight of 468.58 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3,5,6-trimethyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 95084842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).