N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide

C17H22N2OS — CID 2455483

IUPACN-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNCc1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-13-7-5-8-14(4-2)17(13)19-16(20)12-18-11-15-9-6-10-21-15/h5-10,18H,3-4,11-12H2,1-2H3,(H,19,20)
InChIKeyQNTNNMPLGFOFOE-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.60
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide

N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 2455483) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID2455483
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNCc1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-13-7-5-8-14(4-2)17(13)19-16(20)12-18-11-15-9-6-10-21-15/h5-10,18H,3-4,11-12H2,1-2H3,(H,19,20)
InChIKeyQNTNNMPLGFOFOE-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000
N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242501
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 60690026
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide (CID 2455483) is N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide is CCc1cccc(CC)c1NC(=O)CNCc1cccs1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is QNTNNMPLGFOFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-13-7-5-8-14(4-2)17(13)19-16(20)12-18-11-15-9-6-10-21-15/h5-10,18H,3-4,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 2455483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).