N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide

C11H18N2OS — CID 65193940

IUPACN-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC)CN)s1
InChIInChI=1S/C11H18N2OS/c1-3-8(7-12)13-11(14)10-6-5-9(4-2)15-10/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14)
InChIKeyQWGYBDTVKGMJNE-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.78
Rot. Bonds5

About N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide

N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide (PubChem CID 65193940) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
PubChem CID65193940
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC)CN)s1
InChIInChI=1S/C11H18N2OS/c1-3-8(7-12)13-11(14)10-6-5-9(4-2)15-10/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14)
InChIKeyQWGYBDTVKGMJNE-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
CID 65193455
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351346
N-(4-bromo-1-methoxybutan-2-yl)-5-ethylthiophene-2-carboxamide
CID 106156390
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-ethylthiophene-2-carboxamide
CID 106355739
2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
CID 43160928
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide (CID 65193940) is N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC(CC)CN)s1.
What is the InChIKey of N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide?
The InChIKey is QWGYBDTVKGMJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-8(7-12)13-11(14)10-6-5-9(4-2)15-10/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14).
What are the key properties of N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide?
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 65193940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).