N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide

C22H39NOS — CID 532848

IUPACN,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)Cc1cccs1
InChIInChI=1S/C22H39NOS/c1-5-9-12-19(7-3)17-23(18-20(8-4)13-10-6-2)22(24)16-21-14-11-15-25-21/h11,14-15,19-20H,5-10,12-13,16-18H2,1-4H3
InChIKeyZXTKFAFNIBABHD-UHFFFAOYSA-N
MW365.63 g/mol
LogP6.55
Rot. Bonds14

About N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide

N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide (PubChem CID 532848) has the molecular formula C22H39NOS and a molecular weight of 365.63 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide
PubChem CID532848
Molecular FormulaC22H39NOS
Molecular Weight365.63 g/mol
Exact Mass365.28
IUPAC NameN,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)Cc1cccs1
InChIInChI=1S/C22H39NOS/c1-5-9-12-19(7-3)17-23(18-20(8-4)13-10-6-2)22(24)16-21-14-11-15-25-21/h11,14-15,19-20H,5-10,12-13,16-18H2,1-4H3
InChIKeyZXTKFAFNIBABHD-UHFFFAOYSA-N
XLogP6.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.63
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-yl)cyclopropanecarboxamide
CID 44448582
N-methyl-N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
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(5Z,8Z,11Z,14Z)-N-(1-thiophen-2-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
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Icosa-5,8,11,14-tetraenoic acid (2-thiophen-2-yl-ethyl)-amide
CID 10949701
cis-(1S,2S)-2-(aminomethyl)-N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 49797285
1-Methyl-cyclohexanecarboxylic acid methyl-thiophen-2-ylmethyl-amide
CID 57576921
N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide
CID 842500
N-ethyl-1-(2-thiophen-2-ylacetyl)azepane-4-carboxamide
CID 49795307
N-(3-methylbutyl)-2-thiophen-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide (CID 532848) is N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)Cc1cccs1.
What is the InChIKey of N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZXTKFAFNIBABHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NOS/c1-5-9-12-19(7-3)17-23(18-20(8-4)13-10-6-2)22(24)16-21-14-11-15-25-21/h11,14-15,19-20H,5-10,12-13,16-18H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide?
N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide has a molecular weight of 365.63 g/mol, XLogP of 6.55, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 532848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).