N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C23H27N3O3S — CID 20918797

IUPACN-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCc1ccc(CCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1
InChIInChI=1S/C23H27N3O3S/c1-18-4-6-19(7-5-18)10-12-24-23(27)17-25-15-11-20-16-21(8-9-22(20)25)30(28,29)26-13-2-3-14-26/h4-9,11,15-16H,2-3,10,12-14,17H2,1H3,(H,24,27)
InChIKeyXLJVEDRSLBHKLH-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.09
Rot. Bonds7

About N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918797) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918797
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCc1ccc(CCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1
InChIInChI=1S/C23H27N3O3S/c1-18-4-6-19(7-5-18)10-12-24-23(27)17-25-15-11-20-16-21(8-9-22(20)25)30(28,29)26-13-2-3-14-26/h4-9,11,15-16H,2-3,10,12-14,17H2,1H3,(H,24,27)
InChIKeyXLJVEDRSLBHKLH-UHFFFAOYSA-N
XLogP3.09
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918797) is N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is Cc1ccc(CCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is XLJVEDRSLBHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-18-4-6-19(7-5-18)10-12-24-23(27)17-25-15-11-20-16-21(8-9-22(20)25)30(28,29)26-13-2-3-14-26/h4-9,11,15-16H,2-3,10,12-14,17H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).