N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide

C24H28N2OS — CID 156906978

IUPACN-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1cncc2ccccc12)N(CCC1CCCCC1)Cc1cccs1
InChIInChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2
InChIKeyCOUGPWQMAYMVGH-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.84
Rot. Bonds7

About N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide

N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 156906978) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID156906978
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC NameN-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1cncc2ccccc12)N(CCC1CCCCC1)Cc1cccs1
InChIInChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2
InChIKeyCOUGPWQMAYMVGH-UHFFFAOYSA-N
XLogP5.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide (CID 156906978) is N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1cncc2ccccc12)N(CCC1CCCCC1)Cc1cccs1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is COUGPWQMAYMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2.
What are the key properties of N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 392.57 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-isoquinolin-4-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 156906978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).