N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide

C13H14N2O2S — CID 81116990

IUPACN-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-6-7-18-12(11)13(16)15-8-9-2-4-10(14)5-3-9/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyVIYGVGMUYSXBEX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.27
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide

N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 81116990) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
PubChem CID81116990
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-6-7-18-12(11)13(16)15-8-9-2-4-10(14)5-3-9/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyVIYGVGMUYSXBEX-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.27
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-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxythiophene-2-carboxamide
CID 81122394
3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide
CID 75477079
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81116669
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 115456415
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxythiophene-2-carboxamide
CID 81119702
3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 110446006
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxythiophene-2-carboxamide
CID 81121475

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide (CID 81116990) is N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is VIYGVGMUYSXBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-11-6-7-18-12(11)13(16)15-8-9-2-4-10(14)5-3-9/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide?
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81116990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).