N-(2-ethylhexyl)thiophene-2-carboxamide

C13H21NOS — CID 2915198

IUPACN-(2-ethylhexyl)thiophene-2-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-16-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,14,15)
InChIKeySCXLTPDPNIQTIU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.69
Rot. Bonds7

About N-(2-ethylhexyl)thiophene-2-carboxamide

N-(2-ethylhexyl)thiophene-2-carboxamide (PubChem CID 2915198) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(2-ethylhexyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)thiophene-2-carboxamide
PubChem CID2915198
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(2-ethylhexyl)thiophene-2-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-16-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,14,15)
InChIKeySCXLTPDPNIQTIU-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexylthiophene-2-carboxamide
CID 855035
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-ethylhexyl)thiophene-2-carboxamide (CID 2915198) is N-(2-ethylhexyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)thiophene-2-carboxamide is CCCCC(CC)CNC(=O)c1cccs1.
What is the InChIKey of N-(2-ethylhexyl)thiophene-2-carboxamide?
The InChIKey is SCXLTPDPNIQTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-16-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethylhexyl)thiophene-2-carboxamide?
N-(2-ethylhexyl)thiophene-2-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)thiophene-2-carboxamide is sourced from PubChem (CID 2915198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).