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

C9H14N2O2S — CID 82354226

IUPACN-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
SMILESNCCOCCNC(=O)c1cccs1
InChIInChI=1S/C9H14N2O2S/c10-3-5-13-6-4-11-9(12)8-2-1-7-14-8/h1-2,7H,3-6,10H2,(H,11,12)
InChIKeyHWZXXQJXLZNLAJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.45
Rot. Bonds6

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

N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide (PubChem CID 82354226) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
PubChem CID82354226
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
SMILESNCCOCCNC(=O)c1cccs1
InChIInChI=1S/C9H14N2O2S/c10-3-5-13-6-4-11-9(12)8-2-1-7-14-8/h1-2,7H,3-6,10H2,(H,11,12)
InChIKeyHWZXXQJXLZNLAJ-UHFFFAOYSA-N
XLogP0.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
3-(thiophene-2-carbonylamino)propyl 4-chlorobenzoate
CID 84558990
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide (CID 82354226) is N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide is NCCOCCNC(=O)c1cccs1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is HWZXXQJXLZNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-3-5-13-6-4-11-9(12)8-2-1-7-14-8/h1-2,7H,3-6,10H2,(H,11,12).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide?
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 82354226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).