4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide

C14H24N2OS — CID 107819621

IUPAC4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-4-6-7-11(5-2)9-16-14(17)13-8-12(15)10(3)18-13/h8,11H,4-7,9,15H2,1-3H3,(H,16,17)
InChIKeyUPWGBTILKVGDIC-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.58
Rot. Bonds7

About 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide

4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide (PubChem CID 107819621) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide
PubChem CID107819621
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-4-6-7-11(5-2)9-16-14(17)13-8-12(15)10(3)18-13/h8,11H,4-7,9,15H2,1-3H3,(H,16,17)
InChIKeyUPWGBTILKVGDIC-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
2-amino-N-(2-ethylhexyl)-6-methylbenzamide
CID 107819599
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
CID 107819531
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557
4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
CID 61108711

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide (CID 107819621) is 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide is CCCCC(CC)CNC(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide?
The InChIKey is UPWGBTILKVGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-6-7-11(5-2)9-16-14(17)13-8-12(15)10(3)18-13/h8,11H,4-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 107819621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).