N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide

C10H16N2O2S — CID 81118589

IUPACN-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
SMILESCCC(N)CNC(=O)c1cc(OC)cs1
InChIInChI=1S/C10H16N2O2S/c1-3-7(11)5-12-10(13)9-4-8(14-2)6-15-9/h4,6-7H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyRCKXOAREKYFZTM-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.22
Rot. Bonds5

About N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide

N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide (PubChem CID 81118589) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
PubChem CID81118589
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
SMILESCCC(N)CNC(=O)c1cc(OC)cs1
InChIInChI=1S/C10H16N2O2S/c1-3-7(11)5-12-10(13)9-4-8(14-2)6-15-9/h4,6-7H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyRCKXOAREKYFZTM-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81127214
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
N-hex-5-yn-3-yl-4-methoxythiophene-2-carboxamide
CID 115670893
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide (CID 81118589) is N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide is CCC(N)CNC(=O)c1cc(OC)cs1.
What is the InChIKey of N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is RCKXOAREKYFZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-7(11)5-12-10(13)9-4-8(14-2)6-15-9/h4,6-7H,3,5,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide?
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81118589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).