N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide

C14H16N2O2S — CID 81117472

IUPACN-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C14H16N2O2S/c1-18-12-8-13(19-9-12)14(17)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyAGCNFJJFEABQDC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide

N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide (PubChem CID 81117472) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
PubChem CID81117472
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C14H16N2O2S/c1-18-12-8-13(19-9-12)14(17)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyAGCNFJJFEABQDC-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121352
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
N-[(4-carbamothioylphenyl)methyl]-4-methoxythiophene-2-carboxamide
CID 81122140
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide (CID 81117472) is N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCCc2ccc(N)cc2)c1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is AGCNFJJFEABQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-12-8-13(19-9-12)14(17)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide?
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81117472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).