4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

C26H27NO5S — CID 58290817

IUPAC4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3C[C@H]2O)cc1
InChIInChI=1S/C26H27NO5S/c1-3-17-8-11-22(12-9-17)33(30,31)27-26-23-13-18(7-10-19(23)16-25(26)29)14-24(28)20-5-4-6-21(15-20)32-2/h4-13,15,25-27,29H,3,14,16H2,1-2H3/t25-,26-/m1/s1
InChIKeyBEKKYJRDKVLTPW-CLJLJLNGSA-N
MW465.57 g/mol
LogP3.62
Rot. Bonds8

About 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (PubChem CID 58290817) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
PubChem CID58290817
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3C[C@H]2O)cc1
InChIInChI=1S/C26H27NO5S/c1-3-17-8-11-22(12-9-17)33(30,31)27-26-23-13-18(7-10-19(23)16-25(26)29)14-24(28)20-5-4-6-21(15-20)32-2/h4-13,15,25-27,29H,3,14,16H2,1-2H3/t25-,26-/m1/s1
InChIKeyBEKKYJRDKVLTPW-CLJLJLNGSA-N
XLogP3.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 157172855
N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 44574214
N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide
CID 59984973
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108563317
2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
2-benzyl-1-[(2R,3R)-3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-3-isocyanoguanidine
CID 59033801
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 37435447

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (CID 58290817) is 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3C[C@H]2O)cc1.
What is the InChIKey of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The InChIKey is BEKKYJRDKVLTPW-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-3-17-8-11-22(12-9-17)33(30,31)27-26-23-13-18(7-10-19(23)16-25(26)29)14-24(28)20-5-4-6-21(15-20)32-2/h4-13,15,25-27,29H,3,14,16H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 465.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 58290817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).