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

C12H19NOS — CID 115612504

IUPACN-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NOS/c1-4-10(5-2)8-13-12(14)11-7-6-9(3)15-11/h6-7,10H,4-5,8H2,1-3H3,(H,13,14)
InChIKeySOZZOWCJIWQVRV-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.22
Rot. Bonds5

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

N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide (PubChem CID 115612504) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
PubChem CID115612504
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NOS/c1-4-10(5-2)8-13-12(14)11-7-6-9(3)15-11/h6-7,10H,4-5,8H2,1-3H3,(H,13,14)
InChIKeySOZZOWCJIWQVRV-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
N-[(2R)-2-(ethylamino)propyl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120653284
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 60636458

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide (CID 115612504) is N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide is CCC(CC)CNC(=O)c1ccc(C)s1.
What is the InChIKey of N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide?
The InChIKey is SOZZOWCJIWQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-10(5-2)8-13-12(14)11-7-6-9(3)15-11/h6-7,10H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide?
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide has a molecular weight of 225.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 115612504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).