2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide

C24H28N2O3S — CID 54589378

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)NCC1CCCCC1
InChIInChI=1S/C24H28N2O3S/c27-24(25-15-19-9-3-1-4-10-19)17-26-16-23(21-13-7-8-14-22(21)26)30(28,29)18-20-11-5-2-6-12-20/h2,5-8,11-14,16,19H,1,3-4,9-10,15,17-18H2,(H,25,27)
InChIKeyIBZKQZSXLHFPQN-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.31
Rot. Bonds7

About 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide

2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide (PubChem CID 54589378) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide
PubChem CID54589378
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)NCC1CCCCC1
InChIInChI=1S/C24H28N2O3S/c27-24(25-15-19-9-3-1-4-10-19)17-26-16-23(21-13-7-8-14-22(21)26)30(28,29)18-20-11-5-2-6-12-20/h2,5-8,11-14,16,19H,1,3-4,9-10,15,17-18H2,(H,25,27)
InChIKeyIBZKQZSXLHFPQN-UHFFFAOYSA-N
XLogP4.31
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-(3-benzylsulfonylindol-1-yl)-N-(3-ethoxypropyl)acetamide
CID 30558655
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 43958345
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43958313
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 12005987
2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 20911073
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-(3-benzylsulfonylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30558781

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide (CID 54589378) is 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)NCC1CCCCC1.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide?
The InChIKey is IBZKQZSXLHFPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-24(25-15-19-9-3-1-4-10-19)17-26-16-23(21-13-7-8-14-22(21)26)30(28,29)18-20-11-5-2-6-12-20/h2,5-8,11-14,16,19H,1,3-4,9-10,15,17-18H2,(H,25,27).
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide?
2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide has a molecular weight of 424.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 54589378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).