N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide

C22H32N4O3S — CID 55626329

IUPACN-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C22H32N4O3S/c1-17-22(19-10-6-7-11-20(19)23-17)21(27)16-25-12-14-26(15-13-25)30(28,29)24(2)18-8-4-3-5-9-18/h6-7,10-11,18,23H,3-5,8-9,12-16H2,1-2H3
InChIKeyJJYXOKUVVCXWOT-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.79
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide (PubChem CID 55626329) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
PubChem CID55626329
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C22H32N4O3S/c1-17-22(19-10-6-7-11-20(19)23-17)21(27)16-25-12-14-26(15-13-25)30(28,29)24(2)18-8-4-3-5-9-18/h6-7,10-11,18,23H,3-5,8-9,12-16H2,1-2H3
InChIKeyJJYXOKUVVCXWOT-UHFFFAOYSA-N
XLogP2.79
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

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1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
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1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
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1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
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2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
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2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
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2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
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2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55625884
3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide (CID 55626329) is N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide is Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide?
The InChIKey is JJYXOKUVVCXWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-17-22(19-10-6-7-11-20(19)23-17)21(27)16-25-12-14-26(15-13-25)30(28,29)24(2)18-8-4-3-5-9-18/h6-7,10-11,18,23H,3-5,8-9,12-16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide has a molecular weight of 432.59 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55626329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).