2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide

C19H24N2O3S — CID 108541512

IUPAC2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)Cc2cccs2)c1C
InChIInChI=1S/C19H24N2O3S/c1-13-6-7-14(2)19(15(13)3)24-12-18(23)21-9-8-20-17(22)11-16-5-4-10-25-16/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXMSPKBGNEISEOI-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.53
Rot. Bonds8

About 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide

2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide (PubChem CID 108541512) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
PubChem CID108541512
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)Cc2cccs2)c1C
InChIInChI=1S/C19H24N2O3S/c1-13-6-7-14(2)19(15(13)3)24-12-18(23)21-9-8-20-17(22)11-16-5-4-10-25-16/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXMSPKBGNEISEOI-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572762
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102045

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide (CID 108541512) is 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide is Cc1ccc(C)c(OCC(=O)NCCNC(=O)Cc2cccs2)c1C.
What is the InChIKey of 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is XMSPKBGNEISEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-6-7-14(2)19(15(13)3)24-12-18(23)21-9-8-20-17(22)11-16-5-4-10-25-16/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide?
2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 108541512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).