2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

C21H33N3O3S — CID 70685314

IUPAC2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCc1ccc2c(c1)CCN2CC(=O)NC1CCC(CNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C21H33N3O3S/c1-15(2)28(26,27)22-13-17-5-7-19(8-6-17)23-21(25)14-24-11-10-18-12-16(3)4-9-20(18)24/h4,9,12,15,17,19,22H,5-8,10-11,13-14H2,1-3H3,(H,23,25)
InChIKeyHEVCEZCUIRMLFE-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.36
Rot. Bonds7

About 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (PubChem CID 70685314) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
PubChem CID70685314
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCc1ccc2c(c1)CCN2CC(=O)NC1CCC(CNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C21H33N3O3S/c1-15(2)28(26,27)22-13-17-5-7-19(8-6-17)23-21(25)14-24-11-10-18-12-16(3)4-9-20(18)24/h4,9,12,15,17,19,22H,5-8,10-11,13-14H2,1-3H3,(H,23,25)
InChIKeyHEVCEZCUIRMLFE-UHFFFAOYSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (CID 70685314) is 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is Cc1ccc2c(c1)CCN2CC(=O)NC1CCC(CNS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The InChIKey is HEVCEZCUIRMLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-15(2)28(26,27)22-13-17-5-7-19(8-6-17)23-21(25)14-24-11-10-18-12-16(3)4-9-20(18)24/h4,9,12,15,17,19,22H,5-8,10-11,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide has a molecular weight of 407.58 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 70685314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).