N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide

C20H26N2O2S — CID 113058958

IUPACN-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccs1)c1c(C)cccc1C(C)C
InChIInChI=1S/C20H26N2O2S/c1-14(2)18-9-5-7-15(3)20(18)22(16(4)23)11-10-21-19(24)13-17-8-6-12-25-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24)
InChIKeyGBTACWISVBJFCC-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide

N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113058958) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID113058958
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccs1)c1c(C)cccc1C(C)C
InChIInChI=1S/C20H26N2O2S/c1-14(2)18-9-5-7-15(3)20(18)22(16(4)23)11-10-21-19(24)13-17-8-6-12-25-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24)
InChIKeyGBTACWISVBJFCC-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide
CID 113063126
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113060405
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
CID 113063100
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 75381614
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide
CID 113126298
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113059002

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide (CID 113058958) is N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide is CC(=O)N(CCNC(=O)Cc1cccs1)c1c(C)cccc1C(C)C.
What is the InChIKey of N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is GBTACWISVBJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14(2)18-9-5-7-15(3)20(18)22(16(4)23)11-10-21-19(24)13-17-8-6-12-25-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 358.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113058958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).