N-[2-(ethylamino)ethyl]thiophene-2-carboxamide

C9H14N2OS — CID 62657845

IUPACN-[2-(ethylamino)ethyl]thiophene-2-carboxamide
SMILESCCNCCNC(=O)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-2-10-5-6-11-9(12)8-4-3-7-13-8/h3-4,7,10H,2,5-6H2,1H3,(H,11,12)
InChIKeyWQTOBPDUMBYEMP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(ethylamino)ethyl]thiophene-2-carboxamide

N-[2-(ethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 62657845) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]thiophene-2-carboxamide
PubChem CID62657845
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-[2-(ethylamino)ethyl]thiophene-2-carboxamide
SMILESCCNCCNC(=O)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-2-10-5-6-11-9(12)8-4-3-7-13-8/h3-4,7,10H,2,5-6H2,1H3,(H,11,12)
InChIKeyWQTOBPDUMBYEMP-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119508490
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
CID 119727138

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]thiophene-2-carboxamide (CID 62657845) is N-[2-(ethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]thiophene-2-carboxamide is CCNCCNC(=O)c1cccs1.
What is the InChIKey of N-[2-(ethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is WQTOBPDUMBYEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-10-5-6-11-9(12)8-4-3-7-13-8/h3-4,7,10H,2,5-6H2,1H3,(H,11,12).
What are the key properties of N-[2-(ethylamino)ethyl]thiophene-2-carboxamide?
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 62657845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).