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

C14H16N2O2S — CID 81116579

IUPACN-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)Cc2cccc(N)c2)c1
InChIInChI=1S/C14H16N2O2S/c1-16(8-10-4-3-5-11(15)6-10)14(17)13-7-12(18-2)9-19-13/h3-7,9H,8,15H2,1-2H3
InChIKeyHUOZZKSVYVKPRY-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.61
Rot. Bonds4

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

N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 81116579) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID81116579
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)Cc2cccc(N)c2)c1
InChIInChI=1S/C14H16N2O2S/c1-16(8-10-4-3-5-11(15)6-10)14(17)13-7-12(18-2)9-19-13/h3-7,9H,8,15H2,1-2H3
InChIKeyHUOZZKSVYVKPRY-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 129469228
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-(2,6-dichlorophenyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 71910459
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81124563

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (CID 81116579) is N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is COc1csc(C(=O)N(C)Cc2cccc(N)c2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is HUOZZKSVYVKPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(8-10-4-3-5-11(15)6-10)14(17)13-7-12(18-2)9-19-13/h3-7,9H,8,15H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81116579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).