1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone

C25H30N2O3S — CID 43958360

IUPAC1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
SMILESCCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C25H30N2O3S/c1-3-21-12-8-9-15-27(21)25(28)17-26-16-24(22-13-6-7-14-23(22)26)31(29,30)18-20-11-5-4-10-19(20)2/h4-7,10-11,13-14,16,21H,3,8-9,12,15,17-18H2,1-2H3
InChIKeyHFURXWUQNMXHIS-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.71
Rot. Bonds6

About 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone

1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone (PubChem CID 43958360) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
PubChem CID43958360
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
SMILESCCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C25H30N2O3S/c1-3-21-12-8-9-15-27(21)25(28)17-26-16-24(22-13-6-7-14-23(22)26)31(29,30)18-20-11-5-4-10-19(20)2/h4-7,10-11,13-14,16,21H,3,8-9,12,15,17-18H2,1-2H3
InChIKeyHFURXWUQNMXHIS-UHFFFAOYSA-N
XLogP4.71
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone with MolForge

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 43958345
ethyl 1-[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30558942
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958367
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43958432
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 30558994
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
CID 98572904
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
CID 20902782
methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30559699
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
N-benzyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30558914

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone (CID 43958360) is 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone is CCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2C)c2ccccc21.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone?
The InChIKey is HFURXWUQNMXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-3-21-12-8-9-15-27(21)25(28)17-26-16-24(22-13-6-7-14-23(22)26)31(29,30)18-20-11-5-4-10-19(20)2/h4-7,10-11,13-14,16,21H,3,8-9,12,15,17-18H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone?
1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone has a molecular weight of 438.59 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone is sourced from PubChem (CID 43958360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).