N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C24H34N2O2S — CID 35042165

IUPACN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1
InChIInChI=1S/C24H34N2O2S/c1-18(2)20-11-10-19(3)15-22(20)28-17-24(27)25-16-21(23-9-8-14-29-23)26-12-6-4-5-7-13-26/h8-11,14-15,18,21H,4-7,12-13,16-17H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyDYSXXQDPOZONJJ-NRFANRHFSA-N
MW414.62 g/mol
LogP5.29
Rot. Bonds8

About N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 35042165) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID35042165
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1
InChIInChI=1S/C24H34N2O2S/c1-18(2)20-11-10-19(3)15-22(20)28-17-24(27)25-16-21(23-9-8-14-29-23)26-12-6-4-5-7-13-26/h8-11,14-15,18,21H,4-7,12-13,16-17H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyDYSXXQDPOZONJJ-NRFANRHFSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 52984965
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 35042194
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 35043731
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 35345891
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenoxy)acetamide
CID 35042237
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
2-(4-nitrophenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014093

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 35042165) is N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1.
What is the InChIKey of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is DYSXXQDPOZONJJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-18(2)20-11-10-19(3)15-22(20)28-17-24(27)25-16-21(23-9-8-14-29-23)26-12-6-4-5-7-13-26/h8-11,14-15,18,21H,4-7,12-13,16-17H2,1-3H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 414.62 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 35042165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).