N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide

C12H20N2OS — CID 81484281

IUPACN-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-12(13,5-2)8-14-11(15)10-7-6-9(3)16-10/h6-7H,4-5,8,13H2,1-3H3,(H,14,15)
InChIKeyIMXSNEWOSORSPO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.30
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide

N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide (PubChem CID 81484281) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
PubChem CID81484281
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-12(13,5-2)8-14-11(15)10-7-6-9(3)16-10/h6-7H,4-5,8,13H2,1-3H3,(H,14,15)
InChIKeyIMXSNEWOSORSPO-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
CID 115364549
N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119640113
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072
5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 60636458
N-[3-(bromomethyl)pentan-3-yl]-5-methylthiophene-2-carboxamide
CID 114315214
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide (CID 81484281) is N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide is CCC(N)(CC)CNC(=O)c1ccc(C)s1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide?
The InChIKey is IMXSNEWOSORSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-12(13,5-2)8-14-11(15)10-7-6-9(3)16-10/h6-7H,4-5,8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide?
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 81484281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).